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100991-60-4 | 1H-Indene-1-thione, 2,3-dihydro-2,2-dimethyl-
CAS No: 100991-60-4 Catalog No: AG0003DZ MDL No:
Product Description
Catalog Number:
AG0003DZ
Chemical Name:
1H-Indene-1-thione, 2,3-dihydro-2,2-dimethyl-
CAS Number:
100991-60-4
Molecular Formula:
C11H12S
Molecular Weight:
176.2780
IUPAC Name:
2,2-dimethyl-3H-indene-1-thione
InChI:
InChI=1S/C11H12S/c1-11(2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
InChI Key:
UTJHXXDNNMUALD-UHFFFAOYSA-N
SMILES:
S=C1c2ccccc2CC1(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.277g/mol
Monoisotopic Mass:
176.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Photophysics and electrochemistry of some thione far-red/near-IR triplet emitters. | Journal of fluorescence 20090101 |
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