Cas no 92140-97-1 (Propanoic acid,3-mercapto-, 1,1'-(1,4-butanediyl) ester)
92140-97-1 structure
Product Name:Propanoic acid,3-mercapto-, 1,1'-(1,4-butanediyl) ester
CAS No:92140-97-1
MF:C10H22O6S2
MW:302.408081531525
CID:800442
PubChem ID:53446622
Update Time:2025-04-19
Propanoic acid,3-mercapto-, 1,1'-(1,4-butanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-mercapto-, 1,1'-(1,4-butanediyl) ester
- 1,4-BUTANEDIOL BIS(3-MERCAPTOPROPIONATE)
- butane-1,4-diol,3-sulfanylpropanoic acid
- 1,4-BUTANEDIOLBIS(3-MERCAPTOPROPIONATE)
- SCHEMBL552238
- DTXSID80703340
- 92140-97-1
- 3-Sulfanylpropanoic acid--butane-1,4-diol (2/1)
-
- Inchi： 1S/C4H10O2.2C3H6O2S/c5-3-1-2-4-6;2*4-3(5)1-2-6/h5-6H,1-4H2;2*6H,1-2H2,(H,4,5)
- InChI Key： YFYVOEBPDNSSIB-UHFFFAOYSA-N
- SMILES： SCCC(=O)O.SCCC(=O)O.OCCCCO
Computed Properties
- Exact Mass: 302.08578076g/mol
- Monoisotopic Mass: 302.08578076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 70.3
- Covalently-Bonded Unit Count: 3
- 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: nothing
- Topological Polar Surface Area: 117?2
Propanoic acid,3-mercapto-, 1,1'-(1,4-butanediyl) ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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