AG0018PP

13838-78-3 | 2-Thiazolecarboxaldehyde, 5-methyl-

AG0018PP

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CAS Number	13838-78-3
Catalog Number	AG0018PP(AGN-PC-00OIP2)
Chemical Name	2-Thiazolecarboxaldehyde, 5-methyl-
IUPAC Name	5-methyl-1,3-thiazole-2-carbaldehyde
InChI	InChI=1S/C5H5NOS/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChI Key	UUIAJFQYWAFZEO-UHFFFAOYSA-N
MDL Number	MFCD08060733
Molecular Formula	C5H5NOS
Molecular Weight	127.1643
SMILES	CC1=CN=C(S1)C=O
Synonyms	5-Methylthiazole-2-carbaldehyde, 13838-78-3, 5-methyl-1,3-thiazole-2-carbaldehyde, 5-Methyl-1,3-thiazole-2-carboxaldehyde, 5-Methyl-thiazole-2-carbaldehyde, 2-THIAZOLECARBOXALDEHYDE, 5-METHYL-, 5-METHYL-2-THIAZOLECARBOXALDEHYDE, SCHEMBL932978, CTK4C1241, 5-methylthiazole-2-carboxaldehyde, DTXSID30553458, UUIAJFQYWAFZEO-UHFFFAOYSA-N, 2-Formyl-5-methyl-1,3-thiazole, 2-Thiazolecarboxaldehyde,5-methyl-, ALBB-015210, BCP10107, ANW-64217, MFCD08060733, SBB052287, ZINC20357650, AKOS005175012, AB43202, CS-W003454, QC-6241, AC-27892, AJ-77133, AK-49374, AS-18106, BR-49374, CJ-16673, EN000468, SC-25216, SY025200, AB0022215, DB-063255, TX-017233, 4CH-006662, BB 0262068, FT-0683976, ST24033064, W3019, MFCD08060733 (95%), S-5028, 5-methyl-1,3-thiazole-2-carbaldehyde, AldrichCPR, I09-1717, C5H5NOS,

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
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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