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123728-62-1 | 1,2-Dithian-4-one
CAS No: 123728-62-1 Catalog No: AG000L09 MDL No:
Product Description
Catalog Number:
AG000L09
Chemical Name:
1,2-Dithian-4-one
CAS Number:
123728-62-1
Molecular Formula:
C4H6OS2
Molecular Weight:
134.2198
IUPAC Name:
dithian-4-one
InChI:
InChI=1S/C4H6OS2/c5-4-1-2-6-7-3-4/h1-3H2
InChI Key:
KEYSLSNDOHVVSK-UHFFFAOYSA-N
SMILES:
O=C1CCSSC1
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.986g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.211g/mol
Monoisotopic Mass:
133.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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