Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester

2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate

Also Known As: Tocris-1244|KB-R7943 mesylate|KB-R7493|KB-R7943|HSCI1_000220|NCGC00025073-01|NCGC00025073-09|2-[4-(4-Nitrobenzyloxy)phenethyl]isothiourea|2-[2-[4-(4-nitrobenzyloxy)phenyl]ethyl]isothiourea|2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate|4-((4-Nitrobenzyl)oxy)phenethyl carbamimidothioate|BRD-K17743697-066-01-0|BRD-K17743697-066-02-8|BRD-K17743697-066-03-6|carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester|2-[2-[4-[(4-Nitrobenzyl)oxy]phenyl]ethyl]isothiourea|2-4-(4-Nitrophenyl)methoxyphenylethyl Ester Carbamimidothioic Acid|[(2-{4-[(4-nitrophenyl)methoxy]phenyl}ethyl)sulfanyl]methanimidamide|2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester, methanesulfonate (1:1), Carbamimidothioic acid, KB-R7943

Molecular Formula	C16H17N3O3S
Molecular Weight	331.09906 g/mol
LogP	3.34297
Topological Polar Surface Area	102.24 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	331.09906
Monoisotopic Mass	331.09906
Heavy Atoms	23
Complexity	671.97473

Chemical Identifiers

CAS Number	182004-65-5
SMILES	C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]