o-Methyl pentanethioate
Basic information
- CAS
55283-58-4- Standard SMILES
CCCCC(=S)OC- InChIKey
PSLJJIWWAUDWTE-UHFFFAOYSA-N- Molecular formula
- C6H12OS
- Average molar mass
- 132.23 g/mol
- Monoisotopic mass
- 132.06088618
Names & identifiers
- Preferred name
- o-Methyl pentanethioate
- IUPAC
- O-methyl pentanethioate
- English name
- Pentanethioic acid O-methyl ester
- Molecular formula
- C6H12OS
- Molecular weight
- 132.22
Names & synonyms
o-Methyl pentanethioatePentanethioic acid, O-methyl ester55283-58-4DTXSID00340014RefChem:366487DTXCID80291095PSLJJIWWAUDWTE-UHFFFAOYSA-No-Methyl pentanethioate #methyl 4-methylthiobutyrateSCHEMBL628937Pentanethioic acid O-methyl ester
Database identifiers
- CAS
55283-58-4- PubChem CID
- 560787
- DTXSID
DTXSID00340014- Nikkaji
- J113.862F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
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Related reactions
2 records
Compound notes
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