Cas no 62255-41-8 (1-Propanol, 3-[(4-methoxyphenyl)thio]-)
![1-Propanol, 3-[(4-methoxyphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/62500/62255-41-8x500.png)
62255-41-8 structure
Product Name:1-Propanol, 3-[(4-methoxyphenyl)thio]-
CAS No:62255-41-8
MF:C10H14O2S
MW:198.281961917877
CID:452285
PubChem ID:14992988
Update Time:2025-04-19
1-Propanol, 3-[(4-methoxyphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol, 3-[(4-methoxyphenyl)thio]-
- 3-(4-methoxyphenyl)sulfanylpropan-1-ol
- AKOS009034184
- 62255-41-8
- DTXSID30566649
- 3-[(4-Methoxyphenyl)sulfanyl]propan-1-ol
-
- Inchi： 1S/C10H14O2S/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6,11H,2,7-8H2,1H3
- InChI Key： HKNTXEGGYRGKKW-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)OC)CCCO
Computed Properties
- Exact Mass: 198.07152
- Monoisotopic Mass: 198.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 122
- 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: 2.2
- Topological Polar Surface Area: 54.8?2
Experimental Properties
- PSA: 29.46
1-Propanol, 3-[(4-methoxyphenyl)thio]- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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