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1017789-16-0 | 2-Thiophenecarbonitrile, 3-amino-5-ethyl-
CAS No: 1017789-16-0 Catalog No: AG0005J3 MDL No:
Product Description
Catalog Number:
AG0005J3
Chemical Name:
2-Thiophenecarbonitrile, 3-amino-5-ethyl-
CAS Number:
1017789-16-0
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
IUPAC Name:
3-amino-5-ethylthiophene-2-carbonitrile
InChI:
InChI=1S/C7H8N2S/c1-2-5-3-6(9)7(4-8)10-5/h3H,2,9H2,1H3
InChI Key:
PQXPICLTROUJKX-UHFFFAOYSA-N
SMILES:
CCc1cc(c(s1)C#N)N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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