AG0039Q3

878671-96-6 | 3-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-5-thiol

AG0039Q3

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CAS Number	878671-96-6
Catalog Number	AG0039Q3(AGN-PC-0VHD7N)
Chemical Name	3-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-5-thiol
IUPAC Name	3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
InChI	InChI=1S/C15H14N4S/c16-14-17-18-15(20)19(14)13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6H2,(H2,16,17)(H,18,20)
InChI Key	VHPOGQZYQNLNNN-UHFFFAOYSA-N
MDL Number	MFCD09991698
Molecular Formula	C15H14N4S
Molecular Weight	282.3635
SMILES	NC=1N(C(NN1)=S)C1=CC=C(C2=CC=CC=C12)C1CC1
Synonyms	878671-96-6, 5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro, 5-AMINO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-[1,2,4]TRIAZOLE-3-THIOL, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-Triazole-3-thione, AK122674, 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-5-thiol, 5-amino-4-(4-cyclopropyl-naphthalen-1-yl)-4h-[1,2,4]triazole-3-thiol, 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione, 5-amino-4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, Lesinurad Impurity 12, SCHEMBL249425, SCHEMBL15556488, DTXSID70676418, VHPOGQZYQNLNNN-UHFFFAOYSA-N, BCP11531, 4000AC, MFCD09991698, ZINC40435315, AKOS015855157, AKOS016012328, DS-6722, KS-00000R56, AC-30098, AJ-102257, AX8246852, DB-077123, FT-0729511, 3-Amino-4-(4-cyclopropyl-1-naphthyl)-1H-1,2,4-triazole-5(4H)-thione, 5-amino-4-(1-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazole-3-thiol, 5-amino-4-(4-cyclopropylnaphthalen-1-yl)4H-1,2,4-triazole-3-thiol, 5-Amino-4-(4-cyclopropyl-1-naphthyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C15H14N4S, A10465, 3H-1,2,4-Triazole-3-thione,5-amino-4- -2,4-dihydro,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.094g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	282.365g/mol
Monoisotopic Mass	282.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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