AG00BD1T

22706-11-2 | 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol

AG00BD1T

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CAS Number	22706-11-2
Catalog Number	AG00BD1T(AGN-PC-0WA9YD)
Chemical Name	4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
IUPAC Name	4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
InChI	InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)
InChI Key	OKNHZPGPLNUEPC-UHFFFAOYSA-N
MDL Number	MFCD00269264
Molecular Formula	C8H8N4S
Molecular Weight	192.2409
SMILES	SC1=NN=C(C2=CC=CC=C2)N1N
Synonyms	4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol, 22706-11-2, 4-amino-5-phenyl-4H-[1,2,4]triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-phenyl-, 4-amino-5-phenyl-1,2,4-triazole-3-thiol, 21089-45-2, 4H-1,2,4-Triazole-3-thiol, 4-amino-5-phenyl-, AC1LEJJY, AC1Q7F2A, SCHEMBL1774028, CHEMBL2016643, CTK7E9663, DTXSID30177234, OKNHZPGPLNUEPC-UHFFFAOYSA-N, 3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-phenyl-, HA-54, ZINC163939, ALBB-018114, 1399AB, BBL001068, MFCD00269264, SBB040760, STK408351, AKOS000269025, AKOS004904244, 9G-441S, MCULE-9483570207, KS-0000217W, AB0167093, 4-amino-3-phenyl-1,2,4-triazol-5-thione, BB 0217973, ST50214302, AZ0001-0170, 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione, 4-Amino-5-phenyl-4(H)-1,2,4-triazole-3-thiol, AN-153/14987002, I09-3268, 4-amino-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide, 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol, 97%, 4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, F0311-0776, 4-Amino-2,4-Dihydro-5-Phenyl-3H-1,2,4-triazol-3-thione, 4-AMINO-3-MERCAPTO-5-PHENYL-4H-1,2,4-TRIAZOLE, InChI=1/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13, C8H8N4S, AIDS038597, AR-1G0732, CID737082, L-4441, 61480-14-6,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	192.24g/mol
Monoisotopic Mass	192.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	85.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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