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2955-69-3 | Propanethioamide, N-phenyl-
CAS No: 2955-69-3 Catalog No: AG002YQV MDL No:
Product Description
Catalog Number:
AG002YQV
Chemical Name:
Propanethioamide, N-phenyl-
CAS Number:
2955-69-3
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
IUPAC Name:
N-phenylpropanethioamide
InChI:
InChI=1S/C9H11NS/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChI Key:
MUHMMAVKNXSZIH-UHFFFAOYSA-N
SMILES:
CCC(=S)Nc1ccccc1
NSC Number:
14105
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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