methyl 2-(dimethylamino)-N-[[[[[(diethoxyphosphinothioyl)methylamino]sulfinyl]methylamino]carbonyl]oxy]-2-oxoethanimidothioate

HCID 86739080
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Basic information

Standard SMILES
CCOP(=S)(CNS(=O)CNC(=O)ON=C(SC)C(=O)N(C)C)OCC
InChIKey
FKBXNIBRUVLHFO-UHFFFAOYSA-N
Molecular formula
C12H25N4O6PS3
Average molar mass
448.5 g/mol
Monoisotopic mass
448.06738505

Names & identifiers

Preferred name
methyl 2-(dimethylamino)-N-[[[[[(diethoxyphosphinothioyl)methylamino]sulfinyl]methylamino]carbonyl]oxy]-2-oxoethanimidothioate
IUPAC
methyl N-(diethoxyphosphinothioylmethylsulfinamoylmethylcarbamoyloxy)-2-(dimethylamino)-2-oxoethanimidothioate

Names & synonyms

SCHEMBL11140315FKBXNIBRUVLHFO-UHFFFAOYSA-Nmethyl 2-(dimethylamino)-N-[[[[[(diethoxyphosphinothioyl)methylamino]sulfinyl]methylamino]carbonyl]oxy]-2-oxoethanimidothioate

Database identifiers

PubChem CID
86739080

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
195 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
13
Heavy atoms
26

Related reactions

1 records
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Compound notes

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