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37572-29-5 | 3-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrile
CAS No: 37572-29-5 Catalog No: AG00D342 MDL No:
Product Description
Catalog Number:
AG00D342
Chemical Name:
3-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrile
CAS Number:
37572-29-5
IUPAC Name:
3-methylsulfanyl-5-propylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C8H10N2S3/c1-3-4-12-8-6(5-9)7(11-2)10-13-8/h3-4H2,1-2H3
InChI Key:
XQOPRFISYFTQQB-UHFFFAOYSA-N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.362g/mol
Monoisotopic Mass:
230.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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