AG00IF4G

88511-32-4 | 3-methyl-1,2-thiazole-5-carbaldehyde

AG00IF4G

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CAS Number	88511-32-4
Catalog Number	AG00IF4G(AGN-PC-001VEW)
Chemical Name	3-methyl-1,2-thiazole-5-carbaldehyde
IUPAC Name	3-methyl-1,2-thiazole-5-carbaldehyde
InChI	InChI=1S/C5H5NOS/c1-4-2-5(3-7)8-6-4/h2-3H,1H3
InChI Key	JDFGXGKKMJLLLD-UHFFFAOYSA-N
MDL Number	MFCD10700240
Molecular Formula	C5H5NOS
Molecular Weight	127.1643
SMILES	CC1=NSC(C=O)=C1
Synonyms	88511-32-4, 3-Methyl-5-isothiazolecarboxaldehyde, 3-methyl-isothiazole-5-carbaldehyde, 3-methyl-1,2-thiazole-5-carbaldehyde, 5-Isothiazolecarboxaldehyde, 3-methyl-, 5-formyl-3-methyl isothiazole, SCHEMBL2258330, JDFGXGKKMJLLLD-UHFFFAOYSA-N, MFCD10700240, ZINC20443687, AKOS006281823, NE34185, AJ-77686, 5-Isothiazolecarboxaldehyde,3-methyl-, 5-Isothiazolecarboxaldehyde, 3-methyl- (7CI, 9CI),

Complexity	96.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.009g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.161g/mol
Monoisotopic Mass	127.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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