Cas no 89534-38-3 (1,3-Butanedithiol,1-acetate)
1,3-Butanedithiol,1-acetate structure
Product Name:1,3-Butanedithiol,1-acetate
CAS No:89534-38-3
MF:C6H12O2S
MW:148.223280906677
CID:711890
PubChem ID:6430878
Update Time:2025-04-19
1,3-Butanedithiol,1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedithiol,1-acetate
- 3-MERCAPTOBUTYL ACETATE
- 3-sulfanylbutyl acetate
- 1-Acetoxy-3-mercapto-butan
- 3-Mercapto-1-butyl acetate
- 3-Thiobutyl acetate
- acetic acid-(3-mercapto-butyl ester)
- Essigsaeure-(3-mercapto-butylester)
- UNII-8D8DW6O2XV
- 1-Butanol, 3-mercapto-, 1-acetate
- GMXSGLCDVHHWIB-UHFFFAOYSA-N
- FEMA no. 4325
- 3-Mercapto-1-butyl acetate, (+/-)-
- 1,3-Butanedithiol, 1-acetate
- 3-mercaptobutyl-acetate
- Q27270216
- 8D8DW6O2XV
- DTXSID901008860
- (+/-)-3-Mercapto-1-butyl acetate [FHFI]
- (+/-)-3-mercapto-1-butyl acetate
- 89534-38-3
- 3-mercaptobutyl acetate, AldrichCPR
- AKOS006291548
- 3-sulfanylbutylacetate
-
- Inchi： 1S/C6H12O2S/c1-5(9)3-4-8-6(2)7/h5,9H,3-4H2,1-2H3
- InChI Key： GMXSGLCDVHHWIB-UHFFFAOYSA-N
- SMILES： SC(C)CCOC(C)=O
Computed Properties
- Exact Mass: 148.05600
- Monoisotopic Mass: 148.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- Density: 1.018
- Boiling Point: 195.6°C at 760 mmHg
- Flash Point: 77.7°C
- Refractive Index: 1.455
- PSA: 65.10000
- LogP: 1.25790
- FEMA: 4325 | (+/-)-3-MERCAPTO-1-BUTYL ACETATE
1,3-Butanedithiol,1-acetate Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
89534-38-3 (1,3-Butanedithiol,1-acetate) Related Products
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