AG003CZU

52431-78-4 | 1-(4-Hydroxyphenyl)-1H-tetrazole-5(4H)-thione

AG003CZU

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CAS Number	52431-78-4
Catalog Number	AG003CZU(AGN-PC-0KO71A)
Chemical Name	1-(4-Hydroxyphenyl)-1H-tetrazole-5(4H)-thione
EC Number	257-909-2
IUPAC Name	1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
InChI	InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChI Key	MOXZSKYLLSPATM-UHFFFAOYSA-N
MDL Number	MFCD00132898
Molecular Formula	C7H6N4OS
Molecular Weight	194.2137
SMILES	S=C1NN=NN1C2=CC=C(O)C=C2
Synonyms	52431-78-4, 1-(4-Hydroxyphenyl)-5-mercaptotetrazole, 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol, 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione, 1-(4-Hydroxyphenyl)-5-mercapto-1H-tetrazole, 1-(4-Hydroxyphenyl)-1H-tetrazole-5(4H)-thione, MFCD00132898, 4-(5-Mercapto-1H-tetrazol-1-yl)phenol, 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-hydroxyphenyl)-, MOXZSKYLLSPATM-UHFFFAOYSA-N, 4-(5-sulfanyl-1H-1,2,3,4-tetrazol-1-yl)phenol, 1,2-Dihydro-1-(p-hydroxyphenyl)-5H-tetrazole-5-thione, 4-(5-sulfanyl-1H-tetrazol-1-yl)phenol, EINECS 257-909-2, ACMC-209kze, ACMC-1ARQY, AC1MHY3J, SCHEMBL594488, AC1Q78S4, DTXSID3068754, CTK4J5910, 4-(5-mercaptotetrazol-1-yl)phenol, KS-000016PE, ZINC2504589, ANW-31464, SBB057823, STL280181, 1-(4-Hydroxyphenyl)tetrazole-5-thiol, 4-(5-mercapto-tetrazol-1-yl)-phenol, AKOS000120541, AKOS005255077, AC-8310, AN-8127, MCULE-7708678466, NE11278, 1-(p-hydroxyphenyl)-5-mercaptotetrazole, DB-018596, TC-120209, TC-172453, 4-(5-sulfanyl-1,2,3,4-tetraazolyl)phenol, 4-(5-thioxo-1,2,3,4-tetraazolinyl)phenol, FT-0605729, phenol, 4-(5-mercapto-1H-tetrazol-1-yl)-, ST50825368, 4-(5-sulfanyl-1,2,3,4-tetrazol-1-yl)phenol, 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol, 97%, 431H784, W-105827, 1-(4-Hydroxyphenyl)-5-mercaptotetrazole(4-Hydroxy-PMT), Z220533866, 5H-Tetrazole-5-thione,1,2-dihydro-1-(4-hydroxyphenyl)-, C7H6N4OS, C7-H6-N4-O-S, ZINC02504589, CID3034725, H0896,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.026g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.212g/mol
Monoisotopic Mass	194.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	92.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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