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727685-39-4 | 4-Isothiazolecarbonitrile,5-(ethylthio)-3-methoxy-(9CI)
CAS No: 727685-39-4 Catalog No: AG00FTF3 MDL No:
Product Description
Catalog Number:
AG00FTF3
Chemical Name:
4-Isothiazolecarbonitrile,5-(ethylthio)-3-methoxy-(9CI)
CAS Number:
727685-39-4
IUPAC Name:
5-ethylsulfanyl-3-methoxy-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2OS2/c1-3-11-7-5(4-8)6(10-2)9-12-7/h3H2,1-2H3
InChI Key:
HKHDACZQGURKGN-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.274g/mol
Monoisotopic Mass:
200.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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