AG000WOV

127108-66-1 | 1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl-

AG000WOV

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CAS Number	127108-66-1
Catalog Number	AG000WOV(AGN-PC-0KKU34)
Chemical Name	1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl-
IUPAC Name	4-methylthiadiazole-5-carbaldehyde
InChI	InChI=1S/C4H4N2OS/c1-3-4(2-7)8-6-5-3/h2H,1H3
InChI Key	OXDOIOYUIISYNE-UHFFFAOYSA-N
MDL Number	MFCD08703304
Molecular Formula	C4H4N2OS
Molecular Weight	128.1524
SMILES	O=CC1=C(C)N=NS1
Synonyms	4-Methyl-1,2,3-thiadiazole-5-carbaldehyde, 127108-66-1, 4-methylthiadiazole-5-carbaldehyde, 1,2,3-Thiadiazole-5-carboxaldehyde,4-methyl-, 1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl-, 1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl- (9CI), 4-Methyl-1,2,3-thiadiazole-5-carboxaldehyde, AC1MCJQJ, ACMC-1BYYC, SCHEMBL2514282, CTK4B5490, DTXSID30377919, OXDOIOYUIISYNE-UHFFFAOYSA-N, KS-00003H2P, ANW-47691, MFCD06245124, SBB085721, ZINC20443114, AKOS006344018, AS-5524, RP00872, AJ-77653, BR-33060, SC-33439, 4-methyl-1,2,3-thiadiazol-5-carbaldehyde, AB0002128, TR-003912, FT-0080051, FT-0602814, ST24029160, X9687, C-1654, W-205263, I14-32580, 4-methyl-1,2,3-thiadiazole-5-carbaldehyde, AldrichCPR, C4H4N2OS, CID2771292, 4-Methyl-[1,2,3]thiadiazole-5-carbaldehyde,

Complexity	98
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.004g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.149g/mol
Monoisotopic Mass	128.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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