O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate
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Basic information
- CAS
19133-28-9- Standard SMILES
CCP(=S)(OCCCl)Oc1ccc(C#N)cc1- InChIKey
VXDNZMSWMZZCTD-UHFFFAOYSA-N- Molecular formula
- C11H13ClNO2PS
- Average molar mass
- 289.72 g/mol
- Monoisotopic mass
- 289.0093145
Names & identifiers
- Preferred name
- O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate
- IUPAC
- 4-[2-chloroethoxy(ethyl)phosphinothioyl]oxybenzonitrile
- English name
- Phosphonothioic acid, ethyl-, O-(2-chloroethyl) ester, O-ester with p- hydroxybenzonitrile
- Molecular formula
- C11H13ClNO2PS
- Molecular weight
- 289.722
Names & synonyms
19133-28-9o-(2-chloroethyl) o-(4-cyanophenyl) ethylphosphonothioateDTXSID00940730RefChem:1093552DTXCID301369187Monsanto CP-40115CP 40115ENT 25,8694-[2-chloroethoxy(ethyl)phosphinothioyl]oxybenzonitrileAI3-25869Phosphonothioic acid, ethyl-, O-(2-chloroethyl) O-(4-cyanophenyl) esterPhosphonothioic acid, ethyl-, O-(2-chloroethyl) ester, O-ester with p-hydroxybenzonitrile
Show more names
CP-40115ENT-25869Ethylphosphonothioic acid O-(2-chloroethyl)O-(4-cyanophenyl) ester
Phosphonothioic acid, ethyl-, O-(2-chloroethyl) ester, O-ester with p- hydroxybenzonitrile
Database identifiers
- CAS
19133-28-9- PubChem CID
- 87937
- DTXSID
DTXSID00940730- Nikkaji
- J53.779I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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