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25882-59-1 | 3-(Ethylthio)-5-(methylthio)-4-isothiazolecarbonitrile
CAS No: 25882-59-1 Catalog No: AG00BQJ1 MDL No:
Product Description
Catalog Number:
AG00BQJ1
Chemical Name:
3-(Ethylthio)-5-(methylthio)-4-isothiazolecarbonitrile
CAS Number:
25882-59-1
IUPAC Name:
3-ethylsulfanyl-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2S3/c1-3-11-6-5(4-8)7(10-2)12-9-6/h3H2,1-2H3
InChI Key:
MSUDVZOGLNDMES-UHFFFAOYSA-N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.335g/mol
Monoisotopic Mass:
215.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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