AG0013DS

13750-68-0 | 2-Thiazolecarboxaldehyde, 4-methyl-

AG0013DS

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CAS Number	13750-68-0
Catalog Number	AG0013DS(AGN-PC-0L869D)
Chemical Name	2-Thiazolecarboxaldehyde, 4-methyl-
IUPAC Name	4-methyl-1,3-thiazole-2-carbaldehyde
InChI	InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChI Key	NYMCQLLAIMUVSY-UHFFFAOYSA-N
MDL Number	MFCD00022450
Molecular Formula	C5H5NOS
Molecular Weight	127.1643
SMILES	CC=1N=C(SC1)C=O
Synonyms	13750-68-0, 4-Methylthiazole-2-carbaldehyde, 4-Methyl-1,3-thiazole-2-carbaldehyde, 4-Methyl-2-thiazolecarboxaldehyde, 4-Methyl-thiazole-2-carbaldehyde, 4-Methyl-1,3-thiazole-2-carboxaldehyde, 2-THIAZOLECARBOXALDEHYDE, 4-METHYL-, 4-Methyl-2-thiazole carboxaldehyde, 4-Methyl-2-thiazolecarboxaldehyde, 97%, 4-METHYLTHIAZOLE-2-CARBOXALDEHYDE, EC-000.1613, MFCD00022450, PubChem15253, AC1N6OTH, SCHEMBL475763, CTK4C0847, DTXSID40401370, 4-METHYL-2-FORMYLTHIAZOLE, NYMCQLLAIMUVSY-UHFFFAOYSA-N, 2-Formyl-4-methyl-1,3-thiazole, 2-Thiazolecarboxaldehyde,4-methyl-, 4-methyl-2-thiazole-carboxaldehyde, ZINC6320326, ANW-72593, CM-580, FC0862, SBB052289, AKOS011377070, AN-1904, CS-W011145, PB14084, PS-4373, RP00854, TRA0076198, KS-00002A65, AJ-56070, AM803186, BC203023, BP-12649, EN001973, SC-21023, TC-161338, FT-0649701, Y7472, 4-METHYL-2-THIAZOLECARBOXALDEHYDE 97, EN300-79711, Q-1212, 750M680, A807265, W-205503, I14-10612, C5H5NOS, CID4263432,

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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H302-H317-H319
Packing Group	Ⅲ
Precautionary statements	P210-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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