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22042-77-9 | 4-methyl-2-(methylsulfanyl)-1,3-thiazole-5-carbaldehyde
CAS No: 22042-77-9 Catalog No: AG007PZN MDL No:
Product Description
Catalog Number:
AG007PZN
Chemical Name:
4-methyl-2-(methylsulfanyl)-1,3-thiazole-5-carbaldehyde
CAS Number:
22042-77-9
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
IUPAC Name:
4-methyl-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C6H7NOS2/c1-4-5(3-8)10-6(7-4)9-2/h3H,1-2H3
InChI Key:
QWGXPDAWYHFALD-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)C=O)C
NSC Number:
108777
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.248g/mol
Monoisotopic Mass:
172.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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