Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-dimethyl ester
Basic information
- CAS
30978-47-3- Standard SMILES
COP(=S)(OC)SC/C=C(/C)Cl- InChIKey
UDMIDQWYLBRMJQ-XQRVVYSFSA-N- Molecular formula
- C6H12ClO2PS2
- Average molar mass
- 246.7 g/mol
- Monoisotopic mass
- 245.9704867
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-dimethyl ester
- IUPAC
- [(Z)-3-chlorobut-2-enyl]sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-dimethyl ester30978-47-3RefChem:1095454M 95BRN 1818104
Database identifiers
- CAS
30978-47-3- PubChem CID
- 6444951
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…