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157764-01-7 | 2-Benzothiazoleacetonitrile, 4-methyl-
CAS No: 157764-01-7 Catalog No: AG001POB MDL No:MFCD17182146
Product Description
Catalog Number:
AG001POB
Chemical Name:
2-Benzothiazoleacetonitrile, 4-methyl-
CAS Number:
157764-01-7
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD17182146
IUPAC Name:
2-(4-methyl-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H8N2S/c1-7-3-2-4-8-10(7)12-9(13-8)5-6-11/h2-4H,5H2,1H3
InChI Key:
ZBYWTRVSBVTCRP-UHFFFAOYSA-N
SMILES:
N#CCc1sc2c(n1)c(C)ccc2
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:
2.4
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