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18174-82-8 | 4-Isothiazolecarbonitrile, 3-methoxy-5-phenyl-
CAS No: 18174-82-8 Catalog No: AG00232M MDL No:
Product Description
Catalog Number:
AG00232M
Chemical Name:
4-Isothiazolecarbonitrile, 3-methoxy-5-phenyl-
CAS Number:
18174-82-8
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
IUPAC Name:
3-methoxy-5-phenyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C11H8N2OS/c1-14-11-9(7-12)10(15-13-11)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
CPBWIWXFEUMBTJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)nsc1c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles. | Bioorganic & medicinal chemistry 19981201 |
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