Home Carboxys methyl 6-cyano-1,2-benzothiazole-3-carboxylate

methyl 6-cyano-1,2-benzothiazole-3-carboxylate

CAS No.:
1989672-61-8
Catalog Number:
AG01B2KC
Molecular Formula:
C10H6N2O2S
Molecular Weight:
218.2318
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Product Description
Catalog Number:
AG01B2KC
Chemical Name:
methyl 6-cyano-1,2-benzothiazole-3-carboxylate
CAS Number:
1989672-61-8
Molecular Formula:
C10H6N2O2S
Molecular Weight:
218.2318
MDL Number:
MFCD30342688
IUPAC Name:
methyl 6-cyano-1,2-benzothiazole-3-carboxylate
InChI:
InChI=1S/C10H6N2O2S/c1-14-10(13)9-7-3-2-6(5-11)4-8(7)15-12-9/h2-4H,1H3
InChI Key:
PZHGIWGOOXDKJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nsc2c1ccc(c2)C#N
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.23g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties