Basic information
- CAS
7226-85-9- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCS- InChIKey
CJWPDADGDASKGI-UHFFFAOYSA-N- Molecular formula
- C15H26S
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.175522
Names & identifiers
- Preferred name
- 3,7,11-Trimethyl-2,6,10-dodecatriene-1-thiol
- IUPAC
- 3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
- English name
- 3,7,11-Trimethyl-2,6,10-dodecatriene-1-thiol
- Molecular formula
- C15H26S
- Molecular weight
- 238.43
Names & synonyms
7226-85-93,7,11-Trimethyl-2,6,10-dodecatriene-1-thiolRefChem:2724743,7,11-TRIMETHYLDODECA-2,6,10-TRIENE-1-THIOL138077-74-4farnesyl thiolfarnesyl mercaptan(E,E)-Farnesyl Thiol Preparation Kit2,6,10-Dodecatriene-1-thiol, 3,7,11-trimethyl-, (E,E)-SCHEMBL296281CJWPDADGDASKGI-UHFFFAOYSA-NDTXSID601258202
Show more names
Farnesylmercaptan
Database identifiers
- CAS
7226-85-9- PubChem CID
- 53439773
- DTXSID
DTXSID601258202
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 76 °C · 76 °C(Press: 0.01 Torr)
- Density
- 0.882 · 0.882±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.031 · 10.031±0.25(predicted)
Related reactions
1 records
Compound notes
Loading…