Cas no 2651-18-5 (Pseudourea,2-methyl-1-sulfanilyl-2-thio- (7CI,8CI))
2651-18-5 structure
Product Name:Pseudourea,2-methyl-1-sulfanilyl-2-thio- (7CI,8CI)
CAS No:2651-18-5
MF:C8H11N3O2S2
MW:245.321838617325
CID:278155
PubChem ID:9561223
Update Time:2025-04-19
Pseudourea,2-methyl-1-sulfanilyl-2-thio- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Pseudourea,2-methyl-1-sulfanilyl-2-thio- (7CI,8CI)
- methyl N'-(4-aminophenyl)sulfonylcarbamimidothioate
- Carbamimidothioic acid, (4-methylphenyl)-, methyl ester
- CTK2H1450
- N-(4-methylphenyl)-S-methylisothiourea
- N-(p-Methyl-phenyl)-S-methyl-isothioharnstoff
- S-Methyl-N-p-tolyl-isothioharnstoff
- S-methyl-N-p-tolyl-isothiourea
- S-Methyl-N-sulfanilyl-isothioharnstoff
- S-methyl-N-sulfanilyl-isothiourea
- Methyl N-(4-aminobenzene-1-sulfonyl)carbamimidothioate
- NSC-35013
- NSC35013
- 2651-18-5
- DTXSID30949372
-
- Inchi： 1S/C8H11N3O2S2/c1-14-8(10)11-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H2,10,11)
- InChI Key： QGVNSXZTCZKZKI-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(/N=C(\N)/SC)(=O)=O
Computed Properties
- Exact Mass: 245.02943
- Monoisotopic Mass: 245.02926895g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 98.54
- LogP: 2.99750
Pseudourea,2-methyl-1-sulfanilyl-2-thio- (7CI,8CI) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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