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88312-72-5 | 1,3-Benzodithiole, 2-(1,3-dithiol-2-ylideneethylidene)-
CAS No: 88312-72-5 Catalog No: AG00484Y MDL No:
Product Description
Catalog Number:
AG00484Y
Chemical Name:
1,3-Benzodithiole, 2-(1,3-dithiol-2-ylideneethylidene)-
CAS Number:
88312-72-5
Molecular Formula:
C12H8S4
Molecular Weight:
280.4519
IUPAC Name:
2-[2-(1,3-dithiol-2-ylidene)ethylidene]-1,3-benzodithiole
InChI:
InChI=1S/C12H8S4/c1-2-4-10-9(3-1)15-12(16-10)6-5-11-13-7-8-14-11/h1-8H
InChI Key:
OGFXOWFJVXQWQC-UHFFFAOYSA-N
SMILES:
C1=CSC(=CC=C2Sc3c(S2)cccc3)S1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.436g/mol
Monoisotopic Mass:
279.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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