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100363-24-4 | Ethanethioamide, N,N-diphenyl-
CAS No: 100363-24-4 Catalog No: AG0001PX MDL No:
Product Description
Catalog Number:
AG0001PX
Chemical Name:
Ethanethioamide, N,N-diphenyl-
CAS Number:
100363-24-4
Molecular Formula:
C14H13NS
Molecular Weight:
227.3247
IUPAC Name:
N,N-diphenylethanethioamide
InChI:
InChI=1S/C14H13NS/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
OCNLQPFWJFXVDA-UHFFFAOYSA-N
SMILES:
CC(=S)N(c1ccccc1)c1ccccc1
NSC Number:
370888
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.325g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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