Cas no 65757-62-2 (Benzene, [1-[(1-methylethyl)thio]ethyl]-)
![Benzene, [1-[(1-methylethyl)thio]ethyl]- structure](https://ossimg.kuujia.com/scimg/66000/65757-62-2x500.png)
65757-62-2 structure
Product Name:Benzene, [1-[(1-methylethyl)thio]ethyl]-
CAS No:65757-62-2
MF:C11H16S
MW:180.309741973877
CID:397327
PubChem ID:14363377
Update Time:2025-04-19
Benzene, [1-[(1-methylethyl)thio]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [1-[(1-methylethyl)thio]ethyl]-
- 1-propan-2-ylsulfanylethylbenzene
- SCHEMBL10297589
- 65757-62-2
- DTXSID50559391
- {1-[(Propan-2-yl)sulfanyl]ethyl}benzene
-
- Inchi： 1S/C11H16S/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
- InChI Key： JCGDJNJQINTWRE-UHFFFAOYSA-N
- SMILES： S(C(C)C)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 180.09738
- Monoisotopic Mass: 180.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, [1-[(1-methylethyl)thio]ethyl]- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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