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Methyl (Dimethoxyphosphinyl)thioformate

HCID 9794069
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=S)P(=O)(OC)OC
InChIKey
FFQDBUFFLVZHTL-UHFFFAOYSA-N
Molecular formula
C4H9O4PS
Average molar mass
184.15 g/mol

Names & identifiers

Preferred name
Methyl (Dimethoxyphosphinyl)thioformate
IUPAC
O-methyl dimethoxyphosphorylmethanethioate

Names & synonyms

Methyl (Dimethoxyphosphinyl)thioformateSCHEMBL7625575FFQDBUFFLVZHTL-UHFFFAOYSA-NMethyl(Dimethoxyphosphinyl)thioformateO-methyl dimethoxyphosphorylmethanethioatePhosphinecarbothioic acid, dimethoxy-, O-methyl ester, oxide

Database identifiers

PubChem CID
9794069

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
76.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
161

Related reactions

3 records
New reaction record
HRID 665712 reaction equation
HRID 665712As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1278949 reaction equation
HRID 1278949As productuspto-grants-2002_09
HRID 2306123 reaction equation
HRID 2306123As productuspto-grants-2002_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes