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Thiourea

PubChem CID: 2723790

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Compound Synonyms THIOUREA, Thiocarbamide, 62-56-6, 2-Thiourea, Isothiourea, Pseudothiourea, Sulfourea, Thiuronium, Sulourea, 2-Thiopseudourea, Carbamimidothioic acid, Thiocarbonic acid diamide, Urea, thio-, beta-Thiopseudourea, Thiomocovina, Urea, 2-thio-, Tsizp 34, Pseudourea, 2-thio-, Thioharnstoff, Thiokarbamid, USAF EK-497, carbonothioic diamide, Thiocarbamid, RCRA waste number U219, Sulfouren, Caswell No. 855, NSC 5033, CCRIS 588, aminothioamide, GYV9AM2QAG, thio-urea, UNII-GYV9AM2QAG, HSDB 1401, 17356-08-0, aminothiocarboxamide, EINECS 200-543-5, H2NC(S)NH2, MFCD00008067, EPA Pesticide Chemical Code 080201, .beta.-Thiopseudourea, DTXSID9021348, CHEBI:36946, AI3-03582, NSC-5033, (NH2)2CS, CHEMBL260876, DTXCID101348, NSC5033, EC 200-543-5, THIOUREA (IARC), THIOUREA [IARC], TOU, Thiomocovina [Czech], sulfocarbamide, RCRA waste no. U219, CAS-62-56-6, S C (N H2)2, PROPYLTHIOURACIL IMPURITY A (EP IMPURITY), PROPYLTHIOURACIL IMPURITY A [EP IMPURITY], THIOUREA, ACS, thiopseudourea, 2-Thio-Pseudourea, Thiocarbonic diamide, 2-Thio-Urea, beta -thiopseudourea, Urea, 2-thio, Caswell no 855, THIOCARBMATE, Thiourea, 99%, Sulfourea, Thiocarbamide, thiourea, thiocarbamide, THIOUREA [HSDB], WLN: ZYZUS, THIOUREA [MI], THIOUREA [VANDF], Urea, thio- (8CI), THIOUREA [WHO-DD], Thiourea ACS Reagent Grade, Thiourea, LR, >=98%, MLS002454451, BIDD:ER0582, HMS2234E12, HMS3369M21, BCP27948, STR00054, Tox21_201873, Tox21_302767, BDBM50229993, STL194300, Thiourea, ACS reagent, >=99.0%, AKOS000269032, AKOS028109302, AT44959, CCG-207963, FT46947, UN 2877, Thiourea, ReagentPlus(R), >=99.0%, NCGC00091199-01, NCGC00091199-02, NCGC00091199-03, NCGC00256530-01, NCGC00259422-01, Thiourea, >=99.999% (metals basis), BP-31025, SMR000857187, Thiourea, JIS special grade, >=98.0%, Thiourea, p.a., ACS reagent, 99.0%, NS00002781, T0445, T2475, T2835, EN300-19634, 10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1, A833853, Q528995, Thiourea, puriss. p.a., ACS reagent, >=99.0%, doi:10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1, F0001-1650, Thiourea, Pharmaceutical Secondary Standard, Certified Reference Material, 200-543-5
Topological Polar Surface Area 84.1
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 4.0
Description Prohibited from use in food Another common application for use of thiourea is a common sulfur source for making semiconductor cadmium sulfide nanoparticle. A slurry of 1 g cadmium sulfate (1.3 mmol), 0.5 g thiourea (6.6 mmol), and 0.1 g SiO2 (1.7 mmol) were sonicated for 3 hours under ambient air at room temperature. The colorless slurry solution changes to yellow indicating the generation of CdS., Thiourea is a planar molecule. The C=S bond distance is 1.60±0.1 Å for a wide range of derivatives. This narrow range indicates that the C=S bond is insensitive to the nature of the substitutent. Thus, the thioamide, which is similar to an amide group, is difficult to perturb., Thiourea is an organic compound of carbon, nitrogen, sulfur and hydrogen, with the formula CSN2H4 or (NH2)2CS. It is similar to urea, except that the oxygen atom is replaced by a sulfur atom. The properties of urea and thiourea differ significantly because of the relative electronegativities of sulfur and oxygen. Thiourea is a versatile reagent in organic synthesis. "Thioureas" refers to a broad class of compounds with the general structure (R1R2N)(R3R4N)C=S. Thioureas are related to thioamides, e.g. RC(S)NR2, where R is methyl, ethyl, etc., Thiourea reduces peroxides to the corresponding diols. The intermediate of the reaction is an unstable epidioxide which can only be identified at -100 °C. Epidioxide is similar to epoxide except with two oxygen atoms. This intermediate reduces to diol by thiourea.
Isotope Atom Count 0.0
Molecular Complexity 29.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P00328, Q13315, Q13535, P07374, P16473, O75874, P51449, P27695, Q0PXQ5, P0DTD1, n.a.
Iupac Name thiourea
Prediction Hob 1.0
Class Isothioureas
Target Id NPT524, NPT4884, NPT210
Xlogp -0.8
Superclass Organosulfur compounds
Molecular Formula CH4N2S
Prediction Swissadme 0.0
Inchi Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Fcsp3 0.0
Logs 0.292
Rotatable Bond Count 0.0
Logd -0.552
Synonyms (NH2)2CS, &beta, -thiopseudourea, 2-Thio-pseudourea, 2-Thio-urea, 2-Thiopseudourea, 2-Thiourea, Aminothioamide, Aminothiocarboxamide, beta -Thiopseudourea, Beta-thiopseudourea, Carbonothioic diamide, H2NC(S)NH2, Isothiourea, Pseudothiourea, Pseudourea, 2-thio-, Sulfocarbamide, Sulfourea, Sulfouren, Sulourea, Thio-urea, Thiocarbamid, Thiocarbamide, Thiocarbonate diamide, Thiocarbonic acid diamide, Thiocarbonic diamide, Thioharnstoff, Thiokarbamid, Thiomocovina, Thiourea, acs, Thiurea, Thiuronium, THU, TOU, Tsizp 34, TU, Urea, 2-thio-, Urea, thio-, Urea, thio- (8CI)
Substituent Name Isothiourea, Carboximidamide, Hydrocarbon derivative, Organonitrogen compound, Imine, Aliphatic acyclic compound
Compound Name Thiourea
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 76.0095
Formal Charge 0.0
Monoisotopic Mass 76.0095
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 76.12
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -0.19226879999999996
Inchi InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
Smiles C(=S)(N)N
Nring 0.0
Defined Bond Stereocenter Count 0.0

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