Home Carboxys 3-Thiophenecarboxylicacid,2-amino-5-cyclopropyl-,methylester(9CI)

3-Thiophenecarboxylicacid,2-amino-5-cyclopropyl-,methylester(9CI)

CAS No.:
439692-97-4
Catalog Number:
AG00E5YQ
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
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Product Description
Catalog Number:
AG00E5YQ
Chemical Name:
3-Thiophenecarboxylicacid,2-amino-5-cyclopropyl-,methylester(9CI)
CAS Number:
439692-97-4
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD20486565
IUPAC Name:
methyl 2-amino-5-cyclopropylthiophene-3-carboxylate
InChI:
InChI=1S/C9H11NO2S/c1-12-9(11)6-4-7(5-2-3-5)13-8(6)10/h4-5H,2-3,10H2,1H3
InChI Key:
IQSQYRLTSXFHLF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(sc1N)C1CC1
Properties
Complexity:
218  
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:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties