AG00IE95

869108-51-0 | (5-Methyl-1,3,4-thiadiazol-2-yl)methanol

AG00IE95

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CAS Number	869108-51-0
Catalog Number	AG00IE95(AGN-PC-0WAMJO)
Chemical Name	(5-Methyl-1,3,4-thiadiazol-2-yl)methanol
IUPAC Name	(5-methyl-1,3,4-thiadiazol-2-yl)methanol
InChI	InChI=1S/C4H6N2OS/c1-3-5-6-4(2-7)8-3/h7H,2H2,1H3
InChI Key	LZCLPLGMVCURFT-UHFFFAOYSA-N
MDL Number	MFCD18432908
Molecular Formula	C4H6N2OS
Molecular Weight	130.1682
SMILES	OCC1=NN=C(C)S1
Synonyms	(5-methyl-1,3,4-thiadiazol-2-yl)methanol, 869108-51-0, SCHEMBL4324910, LZCLPLGMVCURFT-UHFFFAOYSA-N, KS-00000LH0, MFCD18432908, ZINC72206860, AKOS026726832, MCULE-9582348627, NE23690,

Complexity	80.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.02g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.165g/mol
Monoisotopic Mass	130.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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