Cas no 4198-61-2 (1H-Benzimidazole-2-ethanethiol,6-methyl-)
4198-61-2 structure
Product Name:1H-Benzimidazole-2-ethanethiol,6-methyl-
CAS No:4198-61-2
MF:C10H12N2S
MW:192.280680656433
CID:329886
PubChem ID:262551
Update Time:2025-04-19
1H-Benzimidazole-2-ethanethiol,6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-ethanethiol,6-methyl-
- 1H-Benzimidazole-2-ethanethiol,5-methyl-(9CI)
- 2-(6-methyl-1H-benzimidazol-2-yl)ethanethiol
- 2-(5-methyl-1(3)H-benzoimidazol-2-yl)-ethanethiol
- 5-Methyl-2-(2-mercaptoaethyl)-benzimidazol
- AC1L67QC
- AC1Q7GP3
- AG-J-03086
- AR-1C8260
- CTK4I5502
- NCIOpen2_001644
- NSC96385
- NSC-96385
- 4198-61-2
- DTXSID00294402
-
- Inchi： 1S/C10H12N2S/c1-7-2-3-8-9(6-7)12-10(11-8)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
- InChI Key： BXHJSFOJMVMXSH-UHFFFAOYSA-N
- SMILES： SCCC1=NC2C=CC(C)=CC=2N1
Computed Properties
- Exact Mass: 192.07226
- Monoisotopic Mass: 192.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 2.4
- Topological Polar Surface Area: 29.7?2
Experimental Properties
- Density: 1.215
- Boiling Point: 414.8°Cat760mmHg
- Flash Point: 204.7°C
- Refractive Index: 1.666
- PSA: 28.68
- LogP: 2.34360
1H-Benzimidazole-2-ethanethiol,6-methyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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