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20314-83-4 | 2-Propenethioamide, 3-phenyl-, (2E)-
CAS No: 20314-83-4 Catalog No: AG0028PE MDL No:
Product Description
Catalog Number:
AG0028PE
Chemical Name:
2-Propenethioamide, 3-phenyl-, (2E)-
CAS Number:
20314-83-4
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
IUPAC Name:
3-phenylprop-2-enethioamide
InChI:
InChI=1S/C9H9NS/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChI Key:
HIJXCSPSAVIBMJ-UHFFFAOYSA-N
SMILES:
NC(=S)/C=C/c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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