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666702-48-3 | 4-Benzothiazolecarbonitrile,2-ethyl-(9CI)
CAS No: 666702-48-3 Catalog No: AG00FJP4 MDL No:
Product Description
Catalog Number:
AG00FJP4
Chemical Name:
4-Benzothiazolecarbonitrile,2-ethyl-(9CI)
CAS Number:
666702-48-3
IUPAC Name:
2-ethyl-1,3-benzothiazole-4-carbonitrile
InChI:
InChI=1S/C10H8N2S/c1-2-9-12-10-7(6-11)4-3-5-8(10)13-9/h3-5H,2H2,1H3
InChI Key:
AHDQNQOZPJTARO-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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