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145626-93-3 | 1,2,5-Trithiepane, 5,5-dioxide
CAS No: 145626-93-3 Catalog No: AG001D93 MDL No:
Product Description
Catalog Number:
AG001D93
Chemical Name:
1,2,5-Trithiepane, 5,5-dioxide
CAS Number:
145626-93-3
Molecular Formula:
C4H8O2S3
Molecular Weight:
184.3001
IUPAC Name:
1,2,5-trithiepane 5,5-dioxide
InChI:
InChI=1S/C4H8O2S3/c5-9(6)3-1-7-8-2-4-9/h1-4H2
InChI Key:
IFMXYCMBQCPKAU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCSSCC1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.286g/mol
Monoisotopic Mass:
183.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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