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190841-65-7 | Dibenzo[c,e][1,2]dithiin, 4,7-dimethyl-
CAS No: 190841-65-7 Catalog No: AG002EVD MDL No:
Product Description
Catalog Number:
AG002EVD
Chemical Name:
Dibenzo[c,e][1,2]dithiin, 4,7-dimethyl-
CAS Number:
190841-65-7
Molecular Formula:
C14H12S2
Molecular Weight:
244.3751
IUPAC Name:
4,7-dimethylbenzo[c][1,2]benzodithiine
InChI:
InChI=1S/C14H12S2/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)16-15-13(9)11/h3-8H,1-2H3
InChI Key:
QSLUTGSMTKCFNP-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1SSc1c2cccc1C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.37g/mol
Monoisotopic Mass:
244.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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