O-Butyl methylphosphonochloridothioate
Basic information
- CAS
18005-38-4- Standard SMILES
CCCCOP(C)(=S)Cl- InChIKey
RGAHUIUUJNOBEF-UHFFFAOYSA-N- Molecular formula
- C5H12ClOPS
- Average molar mass
- 186.64 g/mol
- Monoisotopic mass
- 186.0035009
Names & identifiers
- Preferred name
- O-Butyl methylphosphonochloridothioate
- IUPAC
- butoxy-chloro-methyl-sulfanylidene-λ5-phosphane
- English name
- Methylphosphonochloridothioic acid O-butyl ester
- Molecular formula
- C5H12ClOPS
- Molecular weight
- 186.64
Names & synonyms
18005-38-4O-butyl methylphosphonochloridothioateDTXSID10939296RefChem:1093623DTXCID101367797Methylphosphonochloridothioic acid O-butyl esterO-n-Butyl methylphosphonochloridothioateRGAHUIUUJNOBEF-UHFFFAOYSA-NPhosphonochloridothioic acid, methyl-, O-butyl esterbutoxy-chloro-methyl-sulfanylidene-lambda5-phosphanebutyl methylphosphonothiochloridatePhosphonochloridothioic acid, P-methyl-, O-butyl ester
Database identifiers
- CAS
18005-38-4- PubChem CID
- 205452
- DTXSID
DTXSID10939296- Nikkaji
- J50.317G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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