AG0077C2

38942-50-6 | 4,5-dimethyl-4H-1,2,4-triazole-3-thiol

AG0077C2

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CAS Number	38942-50-6
Catalog Number	AG0077C2(AGN-PC-0KBPHJ)
Chemical Name	4,5-dimethyl-4H-1,2,4-triazole-3-thiol
EC Number	254-202-0
IUPAC Name	3,4-dimethyl-1H-1,2,4-triazole-5-thione
InChI	InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)
InChI Key	OTVCBBXLGYYSNC-UHFFFAOYSA-N
MDL Number	MFCD00598239
Molecular Formula	C4H7N3S
Molecular Weight	129.1835
NSC Number	520788
SMILES	S=C1NN=C(C)N1C
Synonyms	38942-50-6, 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol, 3,4-dimethyl-1h-1,2,4-triazole-5(4h)-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl-, EINECS 254-202-0, dimethyl-4H-1,2,4-triazole-3-thiol, OTVCBBXLGYYSNC-UHFFFAOYSA-N, 2,4-Dihydro-4,5-dimethyl-3H-1,2,4-triazole-3-thione, 3,4-Dimethyl-1,2,4-triazole-5-thiol, 4,5-dimethyl-1,2,4-triazole-3-thiol, 3,4-dimethyl-1H-1,2,4-triazole-5-thione, 4,5-Dimethyl-4h-(1,2,4)triazole-3-thiol, 4-Methyl-5-methyl-4H-[1,2,4]triazole-3-thiol, 4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL, NSC520788, AC1M14JU, SCHEMBL390752, AC1Q3Y15, ARK077, CTK6C4889, CTK8F5511, DTXSID40192236, dimethyl-1,2,4-triazole-3-thiol, ALBB-003142, KS-00000NV2, ZINC2566750, BBL013344, MFCD00598239, SBB007074, STK231194, AKOS000283272, AKOS030524039, MCULE-9644808859, NSC-520788, CJ-09764, DS-12347, 3,4-dimethyl-5-mercapto-1,2,4-triazole, 4,5-Dimethyl-3-thio-4H-1,2,4-triazole, LS-156197, TR-053153, 3,4-Dimethyl-4H-1,2,4-triazole-5-thiol, CS-0061407, FT-0649702, ST45027086, V5669, EN300-08303, 4,5-Dimethyl-3-mercapto-4H-1,2,4-triazole, 4,5-Dimethyl-3-sulphanyl-4H-1,2,4-triazole, 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol #, 4H-1,2,4-Triazole-3-thiol, 4,5-dimethyl-, K-8446, d2-1,2,4-Triazoline-5-thione, 3,4-dimethyl-, AO-365/40249492, 4,5-dimethyl-4H-1,2,4-triazol-3-yl hydrosulfide, Z56943709, 4,5-dimethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, F2124-0735, 4,5 - Dimethyl - 4h - (1,2,4)triazole - 3 - thiol, C4H7N3S, C4-H7-N3-S, ACN-040640, CID2063529, AK-34970, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl- (9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.036g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	129.181g/mol
Monoisotopic Mass	129.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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