Phenothiazine
PubChem CID: 7108
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| Compound Synonyms | PHENOTHIAZINE, 10H-Phenothiazine, 92-84-2, Thiodiphenylamine, Dibenzothiazine, Contaverm, Dibenzo-1,4-thiazine, Fenoverm, Phenosan, Feeno, Phenthiazine, Nemazine, Agrazine, Antiverm, Fenotiazina, Fentiazin, Helmetina, Lethelmin, Nemazene, Nexarbol, Padophene, Penthazine, Phenegic, Phenoverm, Phenovis, Phenoxur, Phenzeen, Souframine, Orimon, Reconox, Thiodiphenylamin, Wurm-Thional, AFI-Tiazin, Dibenzoparathiazine, Early bird wormer, 10H-Phenothiazin, Dibenzo-p-thiazine, Fenothiazine, Tiodifenilamina, Biverm, Thiodifenylamine, Phenthiazinum, Danikoropa, ENT 38, Phenothiazinum, Caswell No. 652, XL-50, Phenothiazine [INN], phenothiazin, CCRIS 5877, EPA Pesticide Chemical Code 064501, HSDB 5279, UNII-GS9EX7QNU6, GS9EX7QNU6, Fenotiazina [INN-Spanish], NSC 2037, NSC-2037, EINECS 202-196-5, Phenothiazinum [INN-Latin], MFCD00005015, BRN 0143237, ENT-38, DTXSID5021126, CHEBI:37931, AI3-00038, CHEMBL828, MLS000069413, DTXCID301126, EC 202-196-5, 4-27-00-01214 (Beilstein Handbook Reference), Phenothiazine (INN), NCGC00091146-02, NCGC00091146-04, SMR000059045, Fenotiazina (INN-Spanish), Phenothiazinum (INN-Latin), PHENOTHIAZINE (USP-RS), PHENOTHIAZINE [USP-RS], Fenothiazine [Dutch], Fenotiazina [Italian], Thiodifenylamine [Dutch], Phenothiazine,C12H9NS,92-84-2, Thiodiphenylamin [German], Tiodifenilamina [Italian], CAS-92-84-2, Phenothiazine [INN:NF], ALIMEMAZINE HEMITARTRATE IMPURITY C (EP IMPURITY), ALIMEMAZINE HEMITARTRATE IMPURITY C [EP IMPURITY], PROMETHAZINE HYDROCHLORIDE IMPURITY A (EP IMPURITY), PROMETHAZINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], Contraverm, a phenothiazine, 2,3:5,6-Dibenzo-1,4-thiazine, Nemazine (veterinary), Phenothiazine (Standard), Phenothiazine, >=98%, Opera_ID_1719, PHENOTHIAZINE [MI], cid_7108, SCHEMBL9114, PHENOTHIAZINE [HSDB], Nemazine [veterinary] (TN), Oprea1_495637, MLS001424182, MLS002152928, MLS003166904, BIDD:GT0831, PHENOTHIAZINE [WHO-DD], Phenothiazine, SAJ first grade, SCHEMBL2395921, CHEBI:37932, CHEBI:38093, HY-Y0055R, WLN: T C666 BM ISJ, NSC2037, HMS1607G06, HMS2052I13, HMS2230N12, HMS3372C18, HMS3394I13, HMS3652J21, HMS3715J12, HMS3885P13, Pharmakon1600-01506171, PHENOTHIAZINE [GREEN BOOK], HY-Y0055, Tox21_111090, Tox21_400010, BBL011728, BDBM50012855, NSC760392, s4251, STK205834, AKOS000119180, Tox21_111090_1, CCG-101115, DB11447, FD53774, NC00365, NSC-760392, PS-3980, PHENOTHIAZINE, REFERENCE STANDARD, NCGC00091146-01, NCGC00091146-03, NCGC00091146-05, NCGC00091146-08, Phenothiazine, purum, >=98.0% (GC), AC-10429, BP-31210, DA-76809, SY004343, CS-0008338, NS00002986, P0106, SW197745-2, EN300-19084, Phenothiazine, Vetec(TM) reagent grade, 98%, D02601, F90393, AB00572590_12, Phenothiazine, VETRANAL(TM), analytical standard, Q410846, SR-01000721844, SR-01000721844-3, SR-01000721844-4, BRD-K59597909-001-17-6, BRD-K59597909-001-19-2, BRD-K59597909-001-20-0, F0266-2850, Z104472694, Phenothiazine, United States Pharmacopeia (USP) Reference Standard, 202-196-5, 75788-67-9, InChI=1/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Description | In organic chemistry, phenols, sometimes called phenolics, are a class of chemical compounds consisting of a hydroxyl group (-OH) bonded directly to an aromatic hydrocarbon group. The simplest of the class is phenol (C6H5OH). Phenols is found in many foods, some of which are tea, chinese cinnamon, ceylon cinnamon, and common thyme. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q63921, P12527, n.a., P46098, P02545, Q9NUW8, P10636, Q9Y5S8, P16050, P18054, Q03164, P15917, P51450, P10253, P08684, P06746, C8Z4T0, P33302, O75164, Q96KQ7, Q9UIF8, O15296, P03372, P83916, Q12809, P10275, P37231, O94782, P0DMS8, P23975, P21554, P23219, P35354, P05177, Q01959, P12530, P21397, P28335, P37840, Q16236, Q9H0H5, P10145, P11309, Q03431, Q9NR56, P06276, P22303, P05067, P0DTD1, Q03181, P05412 |
| Iupac Name | 10H-phenothiazine |
| Prediction Hob | 1.0 |
| Class | Benzothiazines |
| Target Id | NPT483, NPT50, NPT51, NPT6188, NPT792, NPT1119, NPT60, NPT109, NPT59, NPT218, NPT228, NPT232, NPT30, NPT31, NPT208, NPT246, NPT261, NPT292, NPT920, NPT439, NPT204 |
| Xlogp | 4.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Phenothiazines |
| Molecular Formula | C12H9NS |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJFKNYWRSNBZNX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.205 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.77 |
| Synonyms | Phenolics, 10H-Phenothiazin, Dibenzo-1,4-thiazine, Thiodiphenylamin, Nemazine, Phenosan, Phenothiazine |
| Compound Name | Phenothiazine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 199.046 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.046 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 199.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.324309314285714 |
| Inchi | InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H |
| Smiles | C1=CC=C2C(=C1)NC3=CC=CC=C3S2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenothiazines |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all