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80593-72-2 | 1,3-Dithiane, 2-ethenylidene-
CAS No: 80593-72-2 Catalog No: AG005KET MDL No:
Product Description
Catalog Number:
AG005KET
Chemical Name:
1,3-Dithiane, 2-ethenylidene-
CAS Number:
80593-72-2
Molecular Formula:
C6H8S2
Molecular Weight:
144.2577
IUPAC Name:
2-ethenylidene-1,3-dithiane
InChI:
InChI=1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h1,3-5H2
InChI Key:
CPGTYOGWDLLPOW-UHFFFAOYSA-N
SMILES:
C=C=C1SCCCS1
Properties
Complexity:
115
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.007g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.25g/mol
Monoisotopic Mass:
144.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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