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155632-41-0 | 2,5-Thiophenedicarbonitrile, 3,4-dimethyl-
CAS No: 155632-41-0 Catalog No: AG001O2K MDL No:MFCD00041438
Product Description
Catalog Number:
AG001O2K
Chemical Name:
2,5-Thiophenedicarbonitrile, 3,4-dimethyl-
CAS Number:
155632-41-0
Molecular Formula:
C8H6N2S
Molecular Weight:
162.2116
MDL Number:
MFCD00041438
IUPAC Name:
3,4-dimethylthiophene-2,5-dicarbonitrile
InChI:
InChI=1S/C8H6N2S/c1-5-6(2)8(4-10)11-7(5)3-9/h1-2H3
InChI Key:
KJJOQVQJRGSFGU-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(c1C)C)C#N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.21g/mol
Monoisotopic Mass:
162.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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