S-ethylisothiouronium diethyl phosphateProduct ingredient for S-Ethylisothiourea
- Name
- S-ethylisothiouronium diethyl phosphate
- Drug Entry
- S-Ethylisothiourea
S-Ethylisothiourea is a nitric oxide synthase inhibitor.
- Accession Number
- DBSALT003453
- Structure
Structure for S-ethylisothiouronium diethyl phosphate (DBSALT003453)
- Synonyms
- DIFETUR / PHOSPHORIC ACID, DIETHYL ESTER, COMPD. WITH 2-ETHYL-2-THIOPSEUDOUREA (1:1) / S-ethylisothiourea diethylphosphate / S-Ethylisothiouronium diethylphosphate / S-ETHYLISOTHIURONIUM DIETHYL PHOSPHATE
- External IDs
- MTR 105 / MTR-105 / MTR105
- UNII
- CTD25O6OBI
- CAS Number
- 21704-46-1
- Weight
- Average: 258.27
Monoisotopic: 258.080315272 - Chemical Formula
- C7H19N2O4PS
- InChI Key
- CSYSULGPHGCBQD-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H11O4P.C3H8N2S/c1-3-7-9(5,6)8-4-2;1-2-6-3(4)5/h3-4H2,1-2H3,(H,5,6);2H2,1H3,(H3,4,5)
- IUPAC Name
- (ethylsulfanyl)methanimidamide; diethoxyphosphinic acid
- SMILES
- CCSC(N)=N.CCOP(O)(=O)OCC
- External Links
- ChemSpider
- 182755
- Predicted Properties
Property Value Source logP 0.45 Chemaxon pKa (Strongest Acidic) 1.95 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.76 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 33.11 m3·mol-1 Chemaxon Polarizability 13.76 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon