Basic information
- CAS
85099-04-3- Standard SMILES
CCCCSCC(O)CO- InChIKey
GXPOMGCOBZJZAW-UHFFFAOYSA-N- Molecular formula
- C7H16O2S
- Average molar mass
- 164.27 g/mol
- Monoisotopic mass
- 164.08710092
Names & identifiers
- Preferred name
- 3-(Butylthio)propane-1,2-diol
- IUPAC
- 3-butylsulfanylpropane-1,2-diol
- English name
- 3-(butylthio)propane-1,2-diol
- Molecular formula
- C7H16O2S
- Molecular weight
- 164.26574
Names & synonyms
3-(Butylthio)propane-1,2-diol85099-04-3EINECS 285-457-63-(butylsulfanyl)propane-1,2-diol3-butylthiopropane-1,2-diolSCHEMBL5170197DTXSID5010054761,2-Propanediol, 3-(butylthio)-STK695230AKOS005606424ST4147551NS00059850
Show more names
3-(Butylthio)-1,2-propanediol
Database identifiers
- CAS
85099-04-3- PubChem CID
- 3020344
- DTXSID
DTXSID501005476- EC Number
- 285-457-6
- Nikkaji
- J309.703J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 68.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…