2-Propanol, 1-chloro-3-(phenylthio)-
Basic information
- CAS
13707-86-3- Standard SMILES
OC(CCl)CSc1ccccc1- InChIKey
MJMJXSXVAGXQRF-UHFFFAOYSA-N- Molecular formula
- C9H11ClOS
- Average molar mass
- 202.7 g/mol
- Monoisotopic mass
- 202.0219138
Names & identifiers
- Preferred name
- 2-Propanol, 1-chloro-3-(phenylthio)-
- IUPAC
- 1-chloro-3-phenylsulfanylpropan-2-ol
- English name
- 2-Propanol, 1-chloro-3-(phenylthio)-
- Molecular formula
- C9H11ClOS
- Molecular weight
- 202.7
Names & synonyms
2-Propanol, 1-chloro-3-(phenylthio)-13707-86-3DTXSID10455027RefChem:265927DTXCID704058461-CHLORO-3-(PHENYLSULFANYL)PROPAN-2-OLSCHEMBL14965611-chloro-3-(phenylthio)-2-propanol1-chloro-3-(phenylsulfanyl)-2-propanol1-chloro-3-(phenylthio)propan-2-ol
Database identifiers
- CAS
13707-86-3- PubChem CID
- 11095697
- DTXSID
DTXSID10455027- Nikkaji
- J569.935E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 141 °C · 141 °C(Press: 4 Torr)
- Density
- 1.0823 g/cm3 · 1.0823 g/cm3
- pka
- 13.21 · 13.21±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…