Phosphorothioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one

HCID 200702

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2544-52-7
Standard SMILES: CCOP(=O)(OCC)SCn1nc(C)oc1=O
InChIKey: BMGRCCNWEFPJON-UHFFFAOYSA-N
Molecular formula: C8H15N2O5PS
Average molar mass: 282.26 g/mol
Monoisotopic mass: 282.04392975

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
IUPAC: 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one

Names & synonyms

BRN 1005798Phosphorothioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one2544-52-7DTXSID70180101RefChem:371265DTXCID40102592O,O-diethyl S-[(5-methyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)methyl] phosphorothioate

Database identifiers

CAS: 2544-52-7
PubChem CID: 200702
DTXSID: DTXSID70180101

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 352

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…