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189894-51-7 | 3-Thiophenecarboxamide, N-butyl-
CAS No: 189894-51-7 Catalog No: AG002E3P MDL No:
Product Description
Catalog Number:
AG002E3P
Chemical Name:
3-Thiophenecarboxamide, N-butyl-
CAS Number:
189894-51-7
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
N-butylthiophene-3-carboxamide
InChI:
InChI=1S/C9H13NOS/c1-2-3-5-10-9(11)8-4-6-12-7-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChI Key:
YVSWIVNOXBVHKV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cscc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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