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163313-56-2 | Pentanethioamide, N-(phenylmethyl)-
CAS No: 163313-56-2 Catalog No: AG001U0P MDL No:
Product Description
Catalog Number:
AG001U0P
Chemical Name:
Pentanethioamide, N-(phenylmethyl)-
CAS Number:
163313-56-2
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
IUPAC Name:
N-benzylpentanethioamide
InChI:
InChI=1S/C12H17NS/c1-2-3-9-12(14)13-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChI Key:
ZLBCTVCIVXCKFR-UHFFFAOYSA-N
SMILES:
CCCCC(=S)NCc1ccccc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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