Cas no 13095-66-4 (Butanoic acid,4-mercapto-, ion(1-))
13095-66-4 structure
Product Name:Butanoic acid,4-mercapto-, ion(1-)
CAS No:13095-66-4
MF:C4H7O2S
MW:119.162180185318
CID:119281
PubChem ID:151729
Update Time:2025-04-18
Butanoic acid,4-mercapto-, ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-mercapto-, ion(1-)
- 4-mercaptobutyrate
- 4-sulfanylbutanoate
- 4-Mercaptobutanoic acid
- 4-sulfanylbutanoic acid
- CHEBI:138358
- gamma-mercaptobutanoate
- 13095-66-4
- DTXSID50156809
- Butanoic acid, 4-mercapto-, ion(1-)
- AKOS025243369
- 4-mercaptobutanoate
- 4-thiobutanoic acid
- gamma-mercaptobutyrate
- gamma-sulfanylbutyrate
- 4-sulfanylbutyrate
- 4-Thiobutyric Acid
-
- Inchi： 1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)/p-1
- InChI Key： DTRIDVOOPAQEEL-UHFFFAOYSA-M
- SMILES： SCCCC(=O)[O-]
Computed Properties
- Exact Mass: 119.01671
- Monoisotopic Mass: 119.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 57.2
- 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: 1
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- Density: 1.164
- Boiling Point: 262.5°Cat760mmHg
- Flash Point: 112.6°C
- PSA: 40.13
Butanoic acid,4-mercapto-, ion(1-) Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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