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88258-81-5 | 1,4-Oxathiin, 3,3'-(dithiodicarbonyl)bis[5,6-dihydro-2-methyl-
CAS No: 88258-81-5 Catalog No: AG004APS MDL No:
Product Description
Catalog Number:
AG004APS
Chemical Name:
1,4-Oxathiin, 3,3'-(dithiodicarbonyl)bis[5,6-dihydro-2-methyl-
CAS Number:
88258-81-5
Molecular Formula:
C12H14O4S4
Molecular Weight:
350.4972
IUPAC Name:
S-(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)sulfanyl 6-methyl-2,3-dihydro-1,4-oxathiine-5-carbothioate
InChI:
InChI=1S/C12H14O4S4/c1-7-9(17-5-3-15-7)11(13)19-20-12(14)10-8(2)16-4-6-18-10/h3-6H2,1-2H3
InChI Key:
YAXHBDFIJUYHOI-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C)OCCS1)SSC(=O)C1=C(C)OCCS1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.977g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.48g/mol
Monoisotopic Mass:
349.977g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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