AG005XBQ

6952-68-7 | [1,2,4]Triazolo[4,3-a]pyridine-3-thiol

AG005XBQ

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CAS Number	6952-68-7
Catalog Number	AG005XBQ(AGN-PC-0JUSNB)
Chemical Name	[1,2,4]Triazolo[4,3-a]pyridine-3-thiol
IUPAC Name	2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
InChI	InChI=1S/C6H5N3S/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
InChI Key	ZQMDNIPQCWNIMG-UHFFFAOYSA-N
MDL Number	MFCD03783345
Molecular Formula	C6H5N3S
Molecular Weight	151.1890
NSC Number	70716
SMILES	S=c1n2c(n[nH]1)cccc2
UNII	T0RLY3OSJ5
Synonyms	[1,2,4]triazolo[4,3-a]pyridine-3-thiol, 6952-68-7, 1,2,4-Triazolo[4,3-a]pyridine-3(2H)-thione, [1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione, S-Triazolo[4,3-a]pyridine-3(2H)-thione, 3-Mercaptotriazolo[4,3-a]pyridine, NSC70716, UNII-T0RLY3OSJ5, T0RLY3OSJ5, 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione, MLS002693693, ZQMDNIPQCWNIMG-UHFFFAOYSA-N, (1,2,4)Triazolo(4,3-a)pyridine-3(2H)-thione, MFCD03783345, 1,2,4-Triazolo[4,3-a]pyridine-3-thiol, 3-mercapto-1,2,4-triazolo[4,3-a]pyridine, [1,2,4]TRIAZOL[4,3-A]PYRIDINE-3-THIOL, 1,2,4-Triazolo(4,3-a)pyridine-3-thiol, 3-mercapto-1,2,4-triazolo(4,3-a)pyridine, 4-hydro-2H-1,2,4-triazolino[4,3-a]pyridine-3-thione, NSC 70716, AC1LDWKH, NCIOpen2_000579, SCHEMBL253753, (2-methylbiphenyl-4-yl)amine, CHEMBL1698968, SCHEMBL18126808, CTK2F3528, CTK9A1479, DTXSID60219772, HMS1666A19, HMS1763D01, HMS3102L19, ALBB-014409, KS-000019MM, ZINC2510522, 8291AE, BBL010253, CCG-54853, CT-963, NSC-70716, SBB038632, STK801524, STL191162, 3-Mercaptopyrido[2,1-c]-S-triazole, {3-Mercaptotriazolo[4,3-a]pyridine}, AKOS000115870, AKOS000266882, 3-mercapto-s-triazolo[4,3-a]pyridine, AS-5645, MB02937, MCULE-8307650127, VP12656, SMR001349672, AB0003490, CS-0085157, FT-0080583, FT-0605390, ST50453122, 1,4-Triazolo[4,3-a]pyridine-3(2H)-thione, 3-Sulphanyl[1,2,4]triazolo[4,3-a]pyridine, A19068, Y-0835, SR-01000399687, I09-1594, SR-01000399687-1, SR-01000643918-1, F0239-0915, F2113-0216, C6H5N3S, CID676422,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.187g/mol
Monoisotopic Mass	151.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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