Cas no 500351-75-7 (Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI))
500351-75-7 structure
Product Name:Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI)
CAS No:500351-75-7
MF:C10H14S
MW:166.283161640167
CID:933119
PubChem ID:240705
Update Time:2025-04-19
Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI)
- 2-methyl-6-propan-2-ylbenzenethiol
- NSC-47206
- DTXSID80286744
- 500351-75-7
- BENZENETHIOL, 2-METHYL-6-(1-METHYLETHYL)-
- DB-285522
- SCHEMBL26049555
- NSC47206
-
- Inchi： 1S/C10H14S/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3
- InChI Key： YOJOYESIJDAHHW-UHFFFAOYSA-N
- SMILES： SC1C(C)=CC=CC=1C(C)C
Computed Properties
- Exact Mass: 166.08162162g/mol
- Monoisotopic Mass: 166.08162162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 120
- 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: 3.6
- Topological Polar Surface Area: 1?2
Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
500351-75-7 (Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI)) Related Products
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