Basic information
- CAS
2602-64-4- Standard SMILES
CCCCCSC(=O)CC- InChIKey
QWQQABHFUJEFNJ-UHFFFAOYSA-N- Molecular formula
- C8H16OS
- Average molar mass
- 160.28 g/mol
- Monoisotopic mass
- 160.0921863
Names & identifiers
- Preferred name
- Propanethioic acid, S-pentyl ester
- IUPAC
- S-pentyl propanethioate
- English name
- Propanethioic acid S-pentyl ester
- Molecular formula
- C8H16OS
- Molecular weight
- 160.28
Names & synonyms
Propanethioic acid, S-pentyl esterPropionic acid, thio-, S-pentyl ester2602-64-4DTXSID60337849RefChem:176321DTXCID90288936QWQQABHFUJEFNJ-UHFFFAOYSA-NS-Pentyl propanethioatePropanethioic acid S-pentyl esterS-Pentyl propanethioate #SCHEMBL3868717SCHEMBL3868719
Show more names
SCHEMBL15615683
Database identifiers
- CAS
2602-64-4- PubChem CID
- 545108
- DTXSID
DTXSID60337849- Nikkaji
- J125.773K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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