S-Ethyl isothiouronium bromideProduct ingredient for S-Ethylisothiourea

Show full entry for S-Ethylisothiourea
Name
S-Ethyl isothiouronium bromide
Drug Entry
S-Ethylisothiourea

S-Ethylisothiourea is a nitric oxide synthase inhibitor.

See full entry for S-Ethylisothiourea
Accession Number
DBSALT003452
Structure
Similar Structures
Synonyms
2-ETHYLISOTHIOUREA HYDROBROMIDE / CARBAMIMIDOTHIOIC ACID, ETHYL ESTER, HYDROBROMIDE (1:1) / ETHIRON BROMIDE / S-Ethylisothiouronium bromide / S-ETHYLISOTHIOURONIUM HYDROBROMIDE / S-ETHYLISOTHIURONIUM BROMIDE
External IDs
NSC-27208 / WR-539
UNII
T9389OA11M
CAS Number
1071-37-0
Weight
Average: 185.08
Monoisotopic: 183.966982
Chemical Formula
C3H9BrN2S
InChI Key
SWXXKWPYNMZFTE-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
IUPAC Name
(ethylsulfanyl)methanimidamide hydrobromide
SMILES
Br.CCSC(N)=N
ChemSpider
173292
ChEMBL
CHEMBL1255945
Predicted Properties
PropertyValueSource
logP0.67Chemaxon
pKa (Strongest Basic)10.99Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area49.87 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity39.78 m3·mol-1Chemaxon
Polarizability10.96 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon