Cas no 76358-97-9 (Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]-)
![Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]- structure](https://ossimg.kuujia.com/scimg/76500/76358-97-9x500.png)
76358-97-9 structure
Product Name:Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]-
CAS No:76358-97-9
MF:C14H18O2S
MW:250.356523036957
CID:537935
PubChem ID:12725301
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]-
- 2-(phenylsulfanylmethyl)cyclohexane-1-carboxylic acid
- 2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid
- DTXSID80508155
- 76358-97-9
-
- Inchi： 1S/C14H18O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)
- InChI Key： IMHSDNULRKCRML-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)CC1CCCCC1C(=O)O
Computed Properties
- Exact Mass: 250.10284
- Monoisotopic Mass: 250.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Cyclohexanecarboxylic acid, 2-[(phenylthio)methyl]- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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