Basic information
- CAS
16849-96-0- Standard SMILES
CCC(C)OC(=O)CS- InChIKey
SHCXYFWPWOFPFI-UHFFFAOYSA-N- Molecular formula
- C6H12O2S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.05580079
Names & identifiers
- Preferred name
- Butan-2-yl 2-sulfanylacetate
- IUPAC
- butan-2-yl 2-sulfanylacetate
- English name
- 2-Mercaptoacetic acid sec-butyl ester
- Molecular formula
- C6H12O2S
- Molecular weight
- 148.22
Names & synonyms
butan-2-yl 2-sulfanylacetate16849-96-0DTXSID70337850RefChem:330391DTXCID502889372-Mercaptoacetic acid sec-butyl esterAcetic acid, mercapto-, sec-butyl esterButan-2-yl sulfanylacetateSec-butyl sulfanylacetate #SCHEMBL4679596SCHEMBL6741077SHCXYFWPWOFPFI-UHFFFAOYSA-N
Show more names
Acetic acid, 2-mercapto-, 1-methylpropyl ester
Database identifiers
- CAS
16849-96-0- PubChem CID
- 545112
- DTXSID
DTXSID70337850- Nikkaji
- J103.288G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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