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102118-56-9 | 2,2'-Bi-1,3-dithiolo[4,5-b][1,4]dithiin-1-ium, 5,5',6,6'-tetrahydro- (9CI)
CAS No: 102118-56-9 Catalog No: AG0006NN MDL No:
Product Description
Catalog Number:
AG0006NN
Chemical Name:
2,2'-Bi-1,3-dithiolo[4,5-b][1,4]dithiin-1-ium, 5,5',6,6'-tetrahydro- (9CI)
CAS Number:
102118-56-9
Molecular Formula:
C10H9S8+
Molecular Weight:
385.6985
IUPAC Name:
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-3-ium-2-yl)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-3-ium
InChI:
InChI=1S/C10H8S8/c1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7/h1-4H2/q+2
InChI Key:
NEKKNQOLDNCZOZ-UHFFFAOYSA-N
SMILES:
C1CSC2C(=[S+]C(=C3SC4=C(S3)SCCS4)S2)S1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.839g/mol
Formal Charge:
2
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.654g/mol
Monoisotopic Mass:
383.839g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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