Home Carboxys methyl 5-methyl-1,3-benzothiazole-2-carboxylate

methyl 5-methyl-1,3-benzothiazole-2-carboxylate

CAS No.:
1323408-10-1
Catalog Number:
AG01DV99
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
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Product Description
Catalog Number:
AG01DV99
Chemical Name:
methyl 5-methyl-1,3-benzothiazole-2-carboxylate
CAS Number:
1323408-10-1
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD28667403
IUPAC Name:
methyl 5-methyl-1,3-benzothiazole-2-carboxylate
InChI:
InChI=1S/C10H9NO2S/c1-6-3-4-8-7(5-6)11-9(14-8)10(12)13-2/h3-5H,1-2H3
InChI Key:
WGKPRULYVMVFER-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(s1)ccc(c2)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties