Home Carboxys methyl 4H,5H,6H,7H-thieno[3,2-b]pyridine-6-carboxylate

methyl 4H,5H,6H,7H-thieno[3,2-b]pyridine-6-carboxylate

CAS No.:
2092493-99-5
Catalog Number:
AG01EHZQ
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
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Product Description
Catalog Number:
AG01EHZQ
Chemical Name:
methyl 4H,5H,6H,7H-thieno[3,2-b]pyridine-6-carboxylate
CAS Number:
2092493-99-5
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD31667349
IUPAC Name:
methyl 4,5,6,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H11NO2S/c1-12-9(11)6-4-8-7(10-5-6)2-3-13-8/h2-3,6,10H,4-5H2,1H3
InChI Key:
NLODEMWSALEDEF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNc2c(C1)scc2
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties