2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE

CAS No.
182004-65-5
CCD No.
CCD00180809
Formula
C16 H17 N3 O3 S . C H4 O3 S
MolWeight
427.5

Basic Information

Product Name: 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE
CAS: 182004-65-5
English Synonyms: 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE ; 2-(2-(4-(4-NITROBENZYLOXY)PHENYL)ETHYL)ISOTHIOUREA, METHANE SULFONATE ; 2-[4-[(4-NITROPHENYL)METHOXY]PHENYL]ETHYL ESTER, CARBAMIMIDOTHIOIC ACID METHANESULFONATE ; 4-((4-NITROBENZYL)OXY)PHENETHYL CARBAMIMIDOTHIOATE METHANESULFONATE ; KB-R7943 MESYLATE ; CARBAMIMIDOTHIOIC ACID METHANESULFONATE ; KB-R7943 METHANESULFONATE
MDL Number.: MFCD00952138
H bond acceptor: 6
H bond donor: 2
Smile: CS(=O)(=O)O.c1cc(ccc1CCSC(=N)N)OCc2ccc(cc2)[N+](=O)[O-]
InChi: InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChiKey: InChIKey=WGIKEBHIKKWJLG-UHFFFAOYSA-N

Property

Safety information

Symbol: GHS09 GHS09
Signal word: Warning
Hazard statements: H400
Precautionary statements: P273
hazard symbol: N
Risk Code: R:50
Safe Code: S:61
WGK Germany: 3

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