Cas no 19462-97-6 (2H-Benzimidazole-2-thione,4-amino-1,3-dihydro-)
19462-97-6 structure
Product Name:2H-Benzimidazole-2-thione,4-amino-1,3-dihydro-
CAS No:19462-97-6
MF:C7H7N3S
MW:165.215579271317
CID:123582
PubChem ID:45078564
Update Time:2025-04-18
2H-Benzimidazole-2-thione,4-amino-1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazole-2-thione,4-amino-1,3-dihydro-
- 2-Benzimidazolethiol,4-amino-(8CI)
- 19462-97-6
- SCHEMBL9187595
- N-(2-mercaptobenzimidazolyl)amine
- 4-Amino-1H-benzo[d]imidazole-2(3H)-thione
-
- Inchi： 1S/C7H7N3S/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
- InChI Key： SABUZSDYMGTMKT-UHFFFAOYSA-N
- SMILES： S=C1NC2C=CC=C(C=2N1)N
Computed Properties
- Exact Mass: 164.02838
- Monoisotopic Mass: 165.03606841g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 82.2?2
Experimental Properties
- PSA: 51.8
2H-Benzimidazole-2-thione,4-amino-1,3-dihydro- Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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