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143850-91-3 | 1-Propanone, 2-(1,3-dithian-2-ylidene)-1-phenyl-
CAS No: 143850-91-3 Catalog No: AG001IHH MDL No:
Product Description
Catalog Number:
AG001IHH
Chemical Name:
1-Propanone, 2-(1,3-dithian-2-ylidene)-1-phenyl-
CAS Number:
143850-91-3
Molecular Formula:
C13H14OS2
Molecular Weight:
250.3797
IUPAC Name:
2-(1,3-dithian-2-ylidene)-1-phenylpropan-1-one
InChI:
InChI=1S/C13H14OS2/c1-10(13-15-8-5-9-16-13)12(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChI Key:
MSMBESLOGHFZDK-UHFFFAOYSA-N
SMILES:
CC(=C1SCCCS1)C(=O)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.374g/mol
Monoisotopic Mass:
250.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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