Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester
Basic information
- CAS
30978-49-5- Standard SMILES
CCOP(=S)(OCC)SC/C=C(/C)Cl- InChIKey
BTBJQQNPABWCNQ-VURMDHGXSA-N- Molecular formula
- C8H16ClO2PS2
- Average molar mass
- 274.8 g/mol
- Monoisotopic mass
- 274.0017868
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester
- IUPAC
- [(Z)-3-chlorobut-2-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester30978-49-5RefChem:1095452M 93BRN 1818902
Database identifiers
- CAS
30978-49-5- PubChem CID
- 6444952
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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