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401567-19-9 | 6-Benzothiazolecarbonitrile,2-(methylthio)-(9CI)
CAS No: 401567-19-9 Catalog No: AG00CPE9 MDL No:
Product Description
Catalog Number:
AG00CPE9
Chemical Name:
6-Benzothiazolecarbonitrile,2-(methylthio)-(9CI)
CAS Number:
401567-19-9
IUPAC Name:
2-methylsulfanyl-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C9H6N2S2/c1-12-9-11-7-3-2-6(5-10)4-8(7)13-9/h2-4H,1H3
InChI Key:
JCVHNSLJWKYZGG-UHFFFAOYSA-N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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