Cas no 173156-74-6 (Methanethioic acid,S-(1-methyl-1H-benzimidazol-2-yl) ester)
173156-74-6 structure
Product Name:Methanethioic acid,S-(1-methyl-1H-benzimidazol-2-yl) ester
CAS No:173156-74-6
MF:C9H8N2OS
MW:192.237620353699
CID:111556
PubChem ID:45078017
Update Time:2025-04-18
Methanethioic acid,S-(1-methyl-1H-benzimidazol-2-yl) ester Chemical and Physical Properties
Names and Identifiers
-
- Methanethioic acid,S-(1-methyl-1H-benzimidazol-2-yl) ester
- S-(1-methylbenzimidazol-2-yl) methanethioate
- Methanethioic acid, S-(1-methyl-1H-benzimidazol-2-yl) ester (9CI)
- 173156-74-6
- DTXSID20663434
- S-(1-Methyl-1H-benzimidazol-2-yl) methanethioate
- S-(1-Methyl-1H-benzo[d]imidazol-2-yl) methanethioate
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- Inchi： 1S/C9H8N2OS/c1-11-8-5-3-2-4-7(8)10-9(11)13-6-12/h2-6H,1H3
- InChI Key： BJULMQJCJKRYBH-UHFFFAOYSA-N
- SMILES： S(C=O)C1=NC2C=CC=CC=2N1C
Computed Properties
- Exact Mass: 192.03584
- Monoisotopic Mass: 192.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 200
- 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: 1.9
- Topological Polar Surface Area: 60.2A^2
Experimental Properties
- PSA: 34.89
Methanethioic acid,S-(1-methyl-1H-benzimidazol-2-yl) ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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