AG00BZ9P

36209-51-5 | 4-AMINO-5-(4-PYRIDYL)-4 H-1,2,4-TRIAZOLE-3-THIOL

AG00BZ9P

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CAS Number	36209-51-5
Catalog Number	AG00BZ9P(AGN-PC-0JVF28)
Chemical Name	4-AMINO-5-(4-PYRIDYL)-4 H-1,2,4-TRIAZOLE-3-THIOL
IUPAC Name	4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI	InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChI Key	LHSIJUVRXSETDR-UHFFFAOYSA-N
MDL Number	MFCD00274215
Molecular Formula	C7H7N5S
Molecular Weight	193.2290
SMILES	SC1=NN=C(C2=CC=NC=C2)N1N
Synonyms	4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 36209-51-5, 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-Amino-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol, 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, CHEMBL571510, 4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol, 4-AMINO-5-(4-PYRIDYL)-4 H-1,2,4-TRIAZOLE-3-THIOL, 4-amino-5-pyridin-4-yl-4h-1,2,4-triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(4-pyridinyl)-, 4-amino-5-(4-pyridyl)-1,2,4-triazole-3-thiol, AC1LEXZA, AC1Q7F2B, Oprea1_782938, SCHEMBL1164883, SCHEMBL13983997, DTXSID80352135, LHSIJUVRXSETDR-UHFFFAOYSA-N, ZINC509439, ALBB-014392, 1640AE, BBL002944, BDBM50320721, MFCD00274215, SBB000314, STK267425, STK729254, AKOS000266760, AKOS005525604, 9G-443S, MCULE-4240581376, KS-0000217X, AB0130911, DB-048937, FT-0639307, ST50033208, K-8110, A823165, AO-476/14512072, I09-2852, 4-amino-5-(pyridin-4-yl)-1,2,4-triazole-3-thiol, 4-amino-5-(pyridin-4-yl)-1,2,4-triazole-3-thione, 4-amino-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-azanyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, F1219-1516, 4H-1,2,4-triazole-3-thiol, 4-amino-5-(4-pyridinyl)-, 4-amino-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione, 4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol, 97%, 4-amino-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-amino-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, InChI=1/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13, C7H7N5S, AR-1G0696, CID719823, ZINC00509439, 3643-70-7,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.228g/mol
Monoisotopic Mass	193.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	98.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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