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127406-79-5 | Benzonitrile, 4-(2-methyl-4-thiazolyl)-
CAS No: 127406-79-5 Catalog No: AG000X24 MDL No:MFCD01765038
Product Description
Catalog Number:
AG000X24
Chemical Name:
Benzonitrile, 4-(2-methyl-4-thiazolyl)-
CAS Number:
127406-79-5
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
MDL Number:
MFCD01765038
IUPAC Name:
4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
InChI:
InChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChI Key:
FOKBMJMDQCPNJI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1csc(n1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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