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26224-40-8 | 1,3-Dithiolane, 2-(phenylmethylene)-
CAS No: 26224-40-8 Catalog No: AG002SC0 MDL No:
Product Description
Catalog Number:
AG002SC0
Chemical Name:
1,3-Dithiolane, 2-(phenylmethylene)-
CAS Number:
26224-40-8
Molecular Formula:
C10H10S2
Molecular Weight:
194.3164
IUPAC Name:
2-benzylidene-1,3-dithiolane
InChI:
InChI=1S/C10H10S2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,8H,6-7H2
InChI Key:
VVXFTHCMVROMGA-UHFFFAOYSA-N
SMILES:
C1CSC(=Cc2ccccc2)S1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.31g/mol
Monoisotopic Mass:
194.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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