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160450-75-9 | 2-Propenethioamide, 2-cyano-3-(1-naphthalenyl)-
CAS No: 160450-75-9 Catalog No: AG001RX8 MDL No:
Product Description
Catalog Number:
AG001RX8
Chemical Name:
2-Propenethioamide, 2-cyano-3-(1-naphthalenyl)-
CAS Number:
160450-75-9
Molecular Formula:
C14H10N2S
Molecular Weight:
238.3076
IUPAC Name:
2-cyano-3-naphthalen-1-ylprop-2-enethioamide
InChI:
InChI=1S/C14H10N2S/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-8H,(H2,16,17)
InChI Key:
OKOMLADKSDJMQZ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc2c1cccc2)C(=S)N
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.308g/mol
Monoisotopic Mass:
238.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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