AG005FIE

7271-44-5 | 3-METHYL-1,2,4-TRIAZOLE-5-THIONE

AG005FIE

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CAS Number	7271-44-5
Catalog Number	AG005FIE(AGN-PC-0K6JJR)
Chemical Name	3-METHYL-1,2,4-TRIAZOLE-5-THIONE
IUPAC Name	5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
InChI	InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
InChI Key	OUZCWDMJTKYHCA-UHFFFAOYSA-N
MDL Number	MFCD00137841
Molecular Formula	C3H5N3S
Molecular Weight	115.1569
SMILES	Cc1[nH]c(=S)[nH]n1
Synonyms	5-MDTT, 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 7271-44-5, 5-methyl-4H-1,2,4-triazole-3-thiol, 3-methyl-1H-1,2,4-triazole-5-thiol, 3-Methyl-1,2,4-triazole-5-thione, 3-Methyl-1H-1,2,4-triazol-5-thiol, 5-Methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-methyl-, 5-Methyl-1H-1,2,4-triazole-3(2H)-thione, OUZCWDMJTKYHCA-UHFFFAOYSA-N, 3-Mercapto-5-methyl-1,2,4-triazole, 5-methyl-1H-1,2,4-triazole-3-thiol, 5-methyl-2H-1,2,4-triazole-3-thiol, 3-methyl-1H-1,2,4-triazole-5(4H)-thione, 5-methyl-2,3-dihydro-1H-1,2,4-triazole-3-thione, 5-Mdtt, 3H-1,4-Triazole-3-thione, 1,2-dihydro-5-methyl-, InChI=1/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7, NSC202519, AC1LTRL8, NCIOpen2_003814, SCHEMBL688422, AC1Q2Q55, SCHEMBL8021327, CHEMBL1935505, CTK2H7630, CTK6C4871, DTXSID90223009, ALBB-014802, ZINC5764944, ZX-AN013514, 3-methyl-1,2,4-triazole-5-thiol, 2-Methyl-1,3,4-triazole-5-thiol, 5-Methyl-1,2,4-triazole-3-thiol, BBL018586, MFCD00461653, NSC166651, NSC508416, SBB024699, STK346849, STL371268, 3-methyl-5-mercapto-1,2,4-triazole, 5-mercapto-2-methyl-1,3,4-triazole, AKOS000276612, AKOS003634407, AKOS005068359, 5-Mercapto-3-methyl-1,2,4-triazole, AB06112, MCULE-6116140119, MS-2947, NE29994, NSC-166651, NSC-202519, NSC-508416, RS-0255, KS-0000289B, AC-13689, BC005307, 3-mercapto-5-methyl-4h-1,2,4-triazole, 1H-1,2,4-Triazole, 3-thiol-5-methyl-, 1H-1,2,4-triazole-5-thiol, 3-methyl-, 3-mercapto-5-methyl-4H-[1,2,4]triazole, AB0106954, DB-055670, TX-017229, BB 0259607, FT-0620584, H2918, R2274, ST45138016, 3-Methyl-1H(4H)-1,2,4-triazole-5-thione, EN300-25558, 5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide, 5-methyl-1,2-dihydro-1,2,4-triazole-3-thione, 3-Methyl-1,4-dihydro-1,2,4-triazole-5-thione, AE-641/30611016, 3-methyl-4,5-dihydro-1h-1,2,4-triazole-5-thione, I09-2598, 1,2-Dihydro-5-methyl-3H-1,2,4-triazole-3-thione, C3-H5-N3-S, CID1538728, 7411-18-9,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.02g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	115.154g/mol
Monoisotopic Mass	115.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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

Lot Number