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1000575-04-1 | Methyl 4-chloro-2-(methylthio)thiazole-5-carboxylate
CAS No: 1000575-04-1 Catalog No: AG01F8DP MDL No:
Product Description
Catalog Number:
AG01F8DP
Chemical Name:
Methyl 4-chloro-2-(methylthio)thiazole-5-carboxylate
CAS Number:
1000575-04-1
Molecular Formula:
C6H6ClNO2S2
Molecular Weight:
223.7003
IUPAC Name:
methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H6ClNO2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h1-2H3
InChI Key:
CKYYAYRVGGMEOF-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Cl)SC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.689g/mol
Monoisotopic Mass:
222.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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