AG003MPZ

55489-15-1 | 5-Ethoxy-1H-benzo[d]imidazole-2-thiol

AG003MPZ

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CAS Number	55489-15-1
Catalog Number	AG003MPZ(AGN-PC-0OC89R)
Chemical Name	5-Ethoxy-1H-benzo[d]imidazole-2-thiol
EC Number	611-274-1
IUPAC Name	5-ethoxy-1,3-dihydrobenzimidazole-2-thione
InChI	InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChI Key	WUSCBOFBIYZVCQ-UHFFFAOYSA-N
MDL Number	MFCD01326487
Molecular Formula	C9H10N2OS
Molecular Weight	194.2535
SMILES	SC1=NC2=CC(OCC)=CC=C2N1
Synonyms	5-Ethoxy-2-mercaptobenzimidazole, 55489-15-1, 5-Ethoxy-1H-benzo[d]imidazole-2-thiol, 5-ethoxy-1H-benzimidazole-2-thiol, 5-ethoxybenzimidazole-2-thiol, MFCD01326487, 2-mercapto-5-ethoxybenzimidazole, 5-ethoxy-1H-benzo[d]imidazole-2(3H)-thione, 5-ethoxy-1H-1,3-benzodiazole-2-thiol, 2H-Benzimidazole-2-thione, 5-ethoxy-1,3-dihydro-, AC1LG8RJ, AC1Q7FAM, ACMC-1ARR4, KSC603O0J, MLS000569277, 5-Ethoxy-2-benzimidazolethiol, SCHEMBL917237, CHEMBL1412623, 5-ethoxybenzimidazoline-2-thione, CTK5A3704, CTK6G2663, DTXSID10355078, WUSCBOFBIYZVCQ-UHFFFAOYSA-N, HMS1760J05, HMS2286L08, ZINC336190, KS-000010PW, 8098AB, ANW-72967, SBB091783, STL298421, AKOS000283121, AKOS000544631, AKOS028109031, MCULE-3716155630, TRA0038182, 5-Ethoxy-2-mercaptobenzimidazole, 97%, 6-ethoxy-1H-1,3-benzodiazole-2-thiol, AJ-19761, AS-40462, CJ-02931, SC-20276, SMR000154881, ZB010810, 5-ethoxy-1,3-dihydrobenzimidazole-2-thione, AB1010291, DB-029139, ST2418755, TC-010786, TC-161712, E0535, EU-0033920, FT-0620367, ST50825372, 2H-Benzimidazole-2-thione,5-ethoxy-1,3-dihydro-, AN-829/25059001, SR-01000392862, SR-01000392862-1, W-203094, I14-13531, Z56933699, F1279-0031, C9H10N2OS, AR-1G7973, CID790793, ZINC00240892, ACN-029673, 5-Ethoxy-2-mercaptobenzimidazole, 99% - 25G 25g, 2H-Benzimidazole-2-thione, 5-ethoxy-1,3-dihydro- (9CI), 5589-90-2,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.051g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.252g/mol
Monoisotopic Mass	194.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

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