Phosphorothioic acid, S-butyl O,O-diethyl ester
Basic information
- CAS
20195-07-7- Standard SMILES
CCOP(=S)(OCC)OC(C)CC- InChIKey
RHUCJHBHZBJZEB-UHFFFAOYSA-N- Molecular formula
- C8H19O3PS
- Average molar mass
- 226.28 g/mol
- Monoisotopic mass
- 226.07925264
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-butyl O,O-diethyl ester
- IUPAC
- butan-2-yloxy-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, S-butyl O,O-diethyl ester20195-07-7RefChem:1095529O,O-Diethyl S-butyl phosphorothioateo-butan-2-yl o,o-diethyl phosphorothioateDTXSID10942265O-(Butan-2-yl) O,O-diethyl phosphorothioate
Database identifiers
- CAS
20195-07-7- PubChem CID
- 209696
- DTXSID
DTXSID10942265
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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