2-Methylbenzothiazole
PubChem CID: 8446
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Methylbenzothiazole, 120-75-2, 2-Methyl-1,3-benzothiazole, Benzothiazole, 2-methyl-, 2-methyl-benzothiazole, 2-METHYBENZOTHIAZOLE, USAF EK-1853, 2-Methyl benzothiazole, 2-METHYLBENZO[D]THIAZOLE, UNII-7LX1XE6H8W, NSC 3825, EINECS 204-423-3, 7LX1XE6H8W, MFCD00005794, BRN 0112427, CCRIS 8096, DTXSID8049208, NSC-3825, DTXCID4029064, 4-27-00-01080 (Beilstein Handbook Reference), Benzothiazole, methyl-, 2-Methyl-1,3-benzothiazole, 2-Methylbenzo[d]thiazole, NSC 3825, methylbenzothiazole, 2-methylbenzothiazoline, SCHEMBL55837, 2-Methylbenzothiazole, 99%, 2-Methyl-1,3-benzothiazole #, CHEMBL2393325, SCHEMBL10600002, WLN: T56 BN DSJ C1, NSC3825, Tox21_202975, AKOS000507502, CS-W009170, NCGC00260521-01, AC-19506, AS-12908, CAS-120-75-2, SY001190, DB-028158, M0516, NS00010908, EN300-16880, F14837, A804586, AA-504/31983006, Q27268542, F0001-0331, 204-423-3 |
|---|---|
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Known as an aroma constituent of tea leaves. 2-Methylbenzothiazole is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1,3-benzothiazole |
| Nih Violation | False |
| Class | Benzothiazoles |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C8H7NS |
| Inchi Key | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 2-Methybenzothiazole, 2-Methyl-1,3-benzothiazole, 2-Methyl-benzothiazole, Benzothiazole, 2-methyl-, Spirotrypan |
| Compound Name | 2-Methylbenzothiazole |
| Kingdom | Organic compounds |
| Exact Mass | 149.03 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 149.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
| Smiles | CC1=NC2=CC=CC=C2S1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzothiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all