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16224-15-0 | Thianthrene, 1,4,6,9-tetramethyl-
CAS No: 16224-15-0 Catalog No: AG001SXA MDL No:
Product Description
Catalog Number:
AG001SXA
Chemical Name:
Thianthrene, 1,4,6,9-tetramethyl-
CAS Number:
16224-15-0
Molecular Formula:
C16H16S2
Molecular Weight:
272.4282
IUPAC Name:
1,4,6,9-tetramethylthianthrene
InChI:
InChI=1S/C16H16S2/c1-9-5-6-10(2)14-13(9)17-15-11(3)7-8-12(4)16(15)18-14/h5-8H,1-4H3
InChI Key:
JGOMBFKQSKVEPN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1Sc1c(C)ccc(c1S2)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.424g/mol
Monoisotopic Mass:
272.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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