AG004I52

86-93-1 | 1-Phenyl-1H-Tetrazole-5-Thiol

AG004I52

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CAS Number	86-93-1
Catalog Number	AG004I52(AGN-PC-0WA4SB)
Chemical Name	1-Phenyl-1H-Tetrazole-5-Thiol
EC Number	201-710-5
IUPAC Name	1-phenyl-2H-tetrazole-5-thione
InChI	InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChI Key	GGZHVNZHFYCSEV-UHFFFAOYSA-N
MDL Number	MFCD00003129
Molecular Formula	C7H6N4S
Molecular Weight	178.2143
SMILES	S=c1n([nH]nn1)c1ccccc1
UNII	1PI3BD9U68
Synonyms	1-phenyl-5-mercaptotetrazole, 1-phenyl-5-mercaptotetrazole, mercury (2+) salt, 1-phenyl-5-mercaptotetrazole, mercury salt, 1-phenyl-5-mercaptotetrazole, potassium salt, 1-phenyl-5-mercaptotetrazole, silver salt, 1-phenyl-5-mercaptotetrazole, sodium salt, 1-phenyl-5-mercaptotetrazole, zinc salt, 86-93-1, 1-Phenyltetrazole-5-thiol, 1-Phenyl-1H-tetrazole-5-thiol, 1-Phenyl-5-mercaptotetrazole, 5-Mercapto-1-phenyltetrazole, 1-Phenyltetrazoline-5-thione, Mercaptophenyltetrazole, Phenylmercaptotetrazole, 1-Phenyl-5-tetrazolethione, 5-Mercapto-1-phenyltetrazol, 5-Mercapto-1-phenyl-1H-tetrazole, 1-Phenyltetrazole-thiol, 1-phenyl-2H-tetrazole-5-thione, 1H-Tetrazole-5-thiol, 1-phenyl-, 2-Tetrazoline-5-thione, 1-phenyl-, 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-, NSC 24018, 1-Phenyl-5-mercapto-1,2,3,4-tetrazole, 1-Phenyl-5-mercapto-1H-tetrazole, EINECS 201-710-5, UNII-1PI3BD9U68, 1PI3BD9U68, CHEBI:79916, GGZHVNZHFYCSEV-UHFFFAOYSA-N, MFCD00003129, 1-phenyl-1,2,3,4-tetraazole-5-thiol, 5-Mercapto-1-phenyl-1,2,3,4-tetrazole, 1-phenyl-1H-1,2,3,4-tetrazole-5-thiol, WLN: T5NNNNJ AR& ESH, 1-PHENYL-5-MERCAPTO-TETRAZOL, 1-Phenyl-5-mercapto-1,3,4-tetrazole, 5H-Tetrazole-5-thione,2-dihydro-1-phenyl-, 1Ph5SHTetrazol, 1-PHENYL-5-MERCAPTO-TETRAZOLE, PubChem9135, 1-Phenyltetrazolethiol, AC1LEQOB, ACMC-209qcc, ACMC-20m5t3, 1-phenyltetrazole-5-thione, SCHEMBL55213, KSC495C1T, 1-PHENYL-1H-1,2,3,4-TETRAAZOLE-5-THIOL, CHEMBL226652, 1-Phenyl-1H-tetrazol-5-thiol, 1-Phenyl-5-thio-1H-tetrazole, DTXSID1052589, CTK0I1390, CTK3J5119, GGZHVNZHFYCSEV-UHFFFAOYSA-, 5-mercapto-l-phenyl-1H-tetrazole, ACT01832, BCP05577, KS-00000VW0, NSC24018, NSC44916, NSC67819, STR04238, ANW-38410, BBL000485, NSC-24018, NSC-44916, NSC-67819, SBB007594, STK292840, ZINC17284974, 1-Phenyl-1H-tetrazole-5(2H)-thione, AKOS000119154, AKOS000294827, AM90368, FR-0256, MCULE-1573322640, PS-4593, RP23964, RTR-017882, 1-Phenyl-1H-tetrazole-5-thiol, 98%, AC-10636, AN-24107, ST009488, 1-phenyl-5-thioxo-1,2,3,4-tetrazoline, 1,2,3,4-Tetrazole-5-thiol, 1-phenyl-, AB0007622, DB-000390, LS-149191, 1-phenyl-2H-1,2,3,4-tetrazole-5-thione, CS-0067555, FT-0608250, FT-0608251, P0640, T8234, 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione, 1-phenyl-1,4-dihydro-5H-tetrazole-5-thione, C15415, SR-01000389024, I01-2026, SR-01000389024-1, W-104051, F0264-0010, F1324-0059, InChI=1/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12), 1-Phenyl-1H-tetrazole-5-thiol, for spectrophotometric det. of Pd, for the determination of Bi, >=97.0%, 1-phenyltetrazol-5-thiol, C7H6N4S, C7-H6-N4-S, CID690730, ZINC00061047, ACN-036822, N-Phenyl-1,2,3,4-thiatriazol-5-amine, 1-Phenyl-1H-tetrazole-5-thiol, 99% - 100G 100g, 102853-44-1, 13078-30-3,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.213g/mol
Monoisotopic Mass	178.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H302
Packing Group	Ⅱ
Precautionary statements	P240-P241-P280-P301+P312a-P501a-P210
UN Code	UN 1325

Certificate of Analysis

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