AG00EDX4

64679-65-8 | 2-((5-Methyl-1H-1,2,4-Triazol-3-Yl)Thio)Acetic Acid

AG00EDX4

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CAS Number	64679-65-8
Catalog Number	AG00EDX4(AGN-PC-0JNS8R)
Chemical Name	2-((5-Methyl-1H-1,2,4-Triazol-3-Yl)Thio)Acetic Acid
EC Number	813-419-6
IUPAC Name	2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
InChI	InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChI Key	OJUNWHNRDPRNBR-UHFFFAOYSA-N
MDL Number	MFCD03247350
Molecular Formula	C5H7N3O2S
Molecular Weight	173.1930
NSC Number	78999
SMILES	O=C(O)CSC(N1)=NN=C1C
UNII	YEZ00M9XKN
Synonyms	64679-65-8, Tiazotic acid, [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, UNII-YEZ00M9XKN, [(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid, Tiazotic acid [INN], YEZ00M9XKN, 2-((5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID, MLS000736858, (5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-(5-methyl-2h-1,2,4-triazol-3-ylthio)acetic acid, Tiazotic acid (INN), 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, BAS 00609135, 2-[(5-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid, ((5-methyl-4h-1,2,4-triazol-3-yl)thio)acetic acid, [(5-methyl-4h-1,2,4-triazol-3-yl)thio]acetic acid, 2-(5-methyl-4H-1,2,4-triazol-3-ylthio)acetic acid, NSC78999, AC1L5QID, ChemDiv2_003921, AC1Q5WU5, SCHEMBL6409061, CHEMBL1487672, CTK5C1578, CTK8E2894, ((5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl)acetic acid, DTXSID40214967, [(5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID, HMS1380C05, HMS2754I12, ALBB-005379, BCP05379, ZINC6008258, BBL007864, MFCD03536501, NSC-78999, SBB024728, STK252255, AKOS000265865, AKOS005171556, AKOS022185087, MB02671, MCULE-7254350345, IDI1_002636, AJ-70523, SMR000123134, AB0081643, TR-032290, BB 0237684, FT-0679105, H2875, ST45138747, EN300-92725, D10852, Y-0697, AO-365/40208393, 5-methyl-1H-1,2,4-triazol-s-yl)thio}-acetic acid, I04-4606, 2-(5-methyl-1H-1,2,4-triazol-3-ylthio)acetic acid, (5-methyl-1h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, (5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid, Z1270207938, (5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, (5-Methyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid, (5-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, [(5-methyl-2H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid, Acetic acid,2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-, (5-methyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, AldrichCPR, KST-1A7142, AR-1A8425, CID254566, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, 6520-77-0,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.026g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.19g/mol
Monoisotopic Mass	173.026g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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