AG00E8GS

499771-03-8 | (1,3,4-Thiadiazol-2-yl)methanol

AG00E8GS

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CAS Number	499771-03-8
Catalog Number	AG00E8GS(AGN-PC-0S5FCN)
Chemical Name	(1,3,4-Thiadiazol-2-yl)methanol
IUPAC Name	1,3,4-thiadiazol-2-ylmethanol
InChI	InChI=1S/C3H4N2OS/c6-1-3-5-4-2-7-3/h2,6H,1H2
InChI Key	AKVYYXPCQNRSAM-UHFFFAOYSA-N
MDL Number	MFCD04972633
Molecular Formula	C3H4N2OS
Molecular Weight	116.1417
SMILES	OCC1SC=NN=1
Synonyms	(1,3,4-thiadiazol-2-yl)methanol, 499771-03-8, 1,3,4-THIADIAZOL-2-YLMETHANOL, SCHEMBL507597, CTK4J1880, DTXSID20612326, AKVYYXPCQNRSAM-UHFFFAOYSA-N, ZINC2540099, MFCD04972633, 2-hydroxymethyl[1,3,4]-thiadiazole, 2-hydroxymethyl-[1,3,4]-thiadiazole, AKOS006282500, PB21867, 1,3,4-THIADIAZOLE-2-METHANOL, DA-42309, CS-0054638, FT-0712394, 1,3,4-THIADIAZOL-2-YLMETHANOL,97%, Q-2830,

Complexity	60.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.004g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	116.138g/mol
Monoisotopic Mass	116.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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