Cas no 103604-42-8 (Propanoic acid,3-mercapto-, cyclohexyl ester)
103604-42-8 structure
Product Name:Propanoic acid,3-mercapto-, cyclohexyl ester
CAS No:103604-42-8
MF:C9H16O2S
MW:188.287141799927
CID:125747
PubChem ID:13651838
Update Time:2025-04-18
Propanoic acid,3-mercapto-, cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-mercapto-, cyclohexyl ester
- Cyclohexy 3-Mercaptopropionate
- CYCLOHEXYL 3-MERCAPTOPROPIONATE
- Cyclohexyl 3-mercaptopropanoate
- DTXSID00545901
- LWSMMYQFTZHMIE-UHFFFAOYSA-N
- cyclohexyl-3-mercaptopropanoate
- cyclohexyl 3-sulfanylpropanoate
- 103604-42-8
- SCHEMBL5829801
- AKOS006294465
- FT-0693174
- cyclohexyl-3-mercaptopropionate
-
- Inchi： 1S/C9H16O2S/c10-9(6-7-12)11-8-4-2-1-3-5-8/h8,12H,1-7H2
- InChI Key： LWSMMYQFTZHMIE-UHFFFAOYSA-N
- SMILES： SCCC(=O)OC1CCCCC1
Computed Properties
- Exact Mass: 188.08718
- Monoisotopic Mass: 188.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 142
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid,3-mercapto-, cyclohexyl ester Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
103604-42-8 (Propanoic acid,3-mercapto-, cyclohexyl ester) Related Products
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