Dimethoate carboxylic acid
Basic information
- CAS
1113-01-5- Standard SMILES
COP(=S)(OC)SCC(=O)O- InChIKey
OGCAJUKWNJKZFV-UHFFFAOYSA-N- Molecular formula
- C4H9O4PS2
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 215.96798811
Names & identifiers
- Preferred name
- Dimethoate carboxylic acid
- IUPAC
- 2-dimethoxyphosphinothioylsulfanylacetic acid
- English name
- [(Dimethoxyphosphinothioyl)thio]acetic acid
- Molecular formula
- C4H9O4PS2
- Molecular weight
- 216.22
Names & synonyms
1113-01-5Phosphorodithioic acid, O,O-dimethyl S-carboxymethyl esterDTXSID40149583Dimethoate carboxylic acidRefChem:1083663DTXCID90720742-dimethoxyphosphinothioylsulfanylacetic acid(Dimethoxythiophosphinoylthio)acetic acid2-((Dimethoxyphosphorothioyl)thio)acetic acidCarboxy derivative of dimethoateO,O-Dimethyl S-carboxymethyl phosphorodithioateBRN 1909899
Show more names
O,O-Dimethyldithiophosphorylacetic acidS-carboxymethyl dimethyl phosphorodithioateAcetic acid, 2-[(dimethoxyphosphinothioyl)thio]-
O,O,-Dimethyldithiophosphorylacetic acidAcetic acid, ((dimethoxyphosphinothioyl)thio)-[(Dimethoxyphosphinothioyl)thio]acetic acidOGCAJUKWNJKZFV-UHFFFAOYSA-NDB-223273[(Dimethoxyphosphorothioyl)sulfanyl]acetic acid
Database identifiers
- CAS
1113-01-5- PubChem CID
- 14209
- DTXSID
DTXSID40149583- Nikkaji
- J53.809D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 24 · NA.24
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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