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1689-79-8 | Thiophene, 3-(1,1-dimethylethyl)-
CAS No: 1689-79-8 Catalog No: AG001YD2 MDL No:
Product Description
Catalog Number:
AG001YD2
Chemical Name:
Thiophene, 3-(1,1-dimethylethyl)-
CAS Number:
1689-79-8
Molecular Formula:
C8H12S
Molecular Weight:
140.2459
IUPAC Name:
3-tert-butylthiophene
InChI:
InChI=1S/C8H12S/c1-8(2,3)7-4-5-9-6-7/h4-6H,1-3H3
InChI Key:
LZDPZKBVRTYUMQ-UHFFFAOYSA-N
SMILES:
CC(c1cscc1)(C)C
UNII:
74M18SC40E
Properties
Complexity:
91.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.066g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.244g/mol
Monoisotopic Mass:
140.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Exploiting substituent effects for the synthesis of a photooxidatively resistant heptacene derivative. | Journal of the American Chemical Society 20090318 |
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