Cas no 80819-94-9 (Benzenemethanethiol, alpha,alpha,4-trimethyl-)
80819-94-9 structure
Product Name:Benzenemethanethiol, alpha,alpha,4-trimethyl-
CAS No:80819-94-9
MF:C10H14S
MW:166.283161640167
CID:733090
PubChem ID:15410529
Update Time:2025-04-19
Benzenemethanethiol, alpha,alpha,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanethiol, alpha,alpha,4-trimethyl-
- 2-(4-methylphenyl)propane-2-thiol
- DTXSID90868595
- SCHEMBL3918056
- 80819-94-9
-
- Inchi： 1S/C10H14S/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
- InChI Key： PYXRMUAJINRNHA-UHFFFAOYSA-N
- SMILES： SC(C)(C)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 194.089369
- Monoisotopic Mass: 194.089369
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 118
- 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
- Topological Polar Surface Area: 9.2
- XLogP3: 3
Benzenemethanethiol, alpha,alpha,4-trimethyl- Related Literature
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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
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
80819-94-9 (Benzenemethanethiol, alpha,alpha,4-trimethyl-) Related Products
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