Home Carboxys methyl 5-amino-4-cyanothiophene-2-carboxylate

methyl 5-amino-4-cyanothiophene-2-carboxylate

CAS No.:
98257-18-2
Catalog Number:
AG01AHNE
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
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Product Description
Catalog Number:
AG01AHNE
Chemical Name:
methyl 5-amino-4-cyanothiophene-2-carboxylate
CAS Number:
98257-18-2
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD18785539
IUPAC Name:
methyl 5-amino-4-cyanothiophene-2-carboxylate
InChI:
InChI=1S/C7H6N2O2S/c1-11-7(10)5-2-4(3-8)6(9)12-5/h2H,9H2,1H3
InChI Key:
DGPUEEBVMOWLDW-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1)C#N)N
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties