Cas no 76227-90-2 (Benzenethiol, 4-[(1-methylethyl)thio]-)
![Benzenethiol, 4-[(1-methylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/76500/76227-90-2x500.png)
76227-90-2 structure
Product Name:Benzenethiol, 4-[(1-methylethyl)thio]-
CAS No:76227-90-2
MF:C9H12S2
MW:184.321579933167
CID:538143
PubChem ID:12637435
Update Time:2025-04-19
Benzenethiol, 4-[(1-methylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 4-[(1-methylethyl)thio]-
- 4-propan-2-ylsulfanylbenzenethiol
- DTXSID80505225
- 4-isopropylsulfanyl-benzenethiol
- 76227-90-2
- 4-[(Propan-2-yl)sulfanyl]benzene-1-thiol
- 4-(isopropylsulfanyl)benzenethiol
-
- Inchi： 1S/C9H12S2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3
- InChI Key： ZHOVOMHTXPBPFN-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)S)C(C)C
Computed Properties
- Exact Mass: 184.03804273g/mol
- Monoisotopic Mass: 184.03804273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 104
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Benzenethiol, 4-[(1-methylethyl)thio]- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
76227-90-2 (Benzenethiol, 4-[(1-methylethyl)thio]-) Related Products
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