Ethanethioic acid, S-(1-methylpropyl) ester
Basic information
- CAS
2432-39-5- Standard SMILES
CCC(C)SC(C)=O- InChIKey
GZONFVAORVOWJX-UHFFFAOYSA-N- Molecular formula
- C6H12OS
- Average molar mass
- 132.23 g/mol
- Monoisotopic mass
- 132.06088618
Names & identifiers
- Preferred name
- Ethanethioic acid, S-(1-methylpropyl) ester
- IUPAC
- S-butan-2-yl ethanethioate
- English name
- Thioacetic acid S-(1-methylpropyl) ester
- Molecular formula
- C6H12OS
- Molecular weight
- 132.22
Names & synonyms
Ethanethioic acid, S-(1-methylpropyl) esterAcetic acid, thio-, S-sec-butyl ester2432-39-5S-(1-Methylpropyl) thioacetateCH3C(O)SCH(CH3)C2H5DTXSID40334250RefChem:340223DTXCID50285340GZONFVAORVOWJX-UHFFFAOYSA-NThioacetic acid S-(1-methylpropyl) esterS-(Butan-2-yl) ethanethioateSCHEMBL8341889
Show more names
Thioacetic acid S-sec-butyl ester
S-(Sec-butyl) ethanethioate #SCHEMBL10819298ethanethioic acid S-sec-butyl esterethanethioic acid S-(1-methyl-propyl) ester
Database identifiers
- CAS
2432-39-5- PubChem CID
- 520113
- DTXSID
DTXSID40334250- Nikkaji
- J125.737D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.6
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Compound notes
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