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291-18-9 | 1,3,5-Oxadithiane
CAS No: 291-18-9 Catalog No: AG002XBD MDL No:
Product Description
Catalog Number:
AG002XBD
Chemical Name:
1,3,5-Oxadithiane
CAS Number:
291-18-9
Molecular Formula:
C3H6OS2
Molecular Weight:
122.2091
IUPAC Name:
1,3,5-oxadithiane
InChI:
InChI=1S/C3H6OS2/c1-4-2-6-3-5-1/h1-3H2
InChI Key:
HCGDRSQHPBQHGM-UHFFFAOYSA-N
SMILES:
C1OCSCS1
Properties
Complexity:
35.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.986g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.2g/mol
Monoisotopic Mass:
121.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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