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137758-74-8 | 1,3,2-Benzodithiastannole, 2,2'-[1,2-phenylenebis(thio)]bis[2-methyl- (9CI)
CAS No: 137758-74-8 Catalog No: AG0013SL MDL No:
Product Description
Catalog Number:
AG0013SL
Chemical Name:
1,3,2-Benzodithiastannole, 2,2'-[1,2-phenylenebis(thio)]bis[2-methyl- (9CI)
CAS Number:
137758-74-8
Molecular Formula:
C20H18S6Sn2
Molecular Weight:
688.1489
IUPAC Name:
2-methyl-2-[2-[(2-methyl-1,3,2-benzodithiastannol-2-yl)sulfanyl]phenyl]sulfanyl-1,3,2-benzodithiastannole
InChI:
InChI=1S/3C6H6S2.2CH3.2Sn/c3*7-5-3-1-2-4-6(5)8;;;;/h3*1-4,7-8H;2*1H3;;/q;;;;;2*+3/p-6
InChI Key:
VIXBNJPDBQJVAV-UHFFFAOYSA-H
SMILES:
C[Sn]1(Sc2ccccc2S[Sn]2(C)Sc3c(S2)cccc3)Sc2c(S1)cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
687.777g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
688.144g/mol
Monoisotopic Mass:
689.778g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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