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88152-75-4 | 5-Benzothiazoleacetonitrile, 4,5-dihydro-
CAS No: 88152-75-4 Catalog No: AG004D2P MDL No:
Product Description
Catalog Number:
AG004D2P
Chemical Name:
5-Benzothiazoleacetonitrile, 4,5-dihydro-
CAS Number:
88152-75-4
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
IUPAC Name:
2-(4,5-dihydro-1,3-benzothiazol-5-yl)acetonitrile
InChI:
InChI=1S/C9H8N2S/c10-4-3-7-1-2-9-8(5-7)11-6-12-9/h1-2,6-7H,3,5H2
InChI Key:
ZWJOORLMLPFCML-UHFFFAOYSA-N
SMILES:
C(C#N)C1Cc2ncsc2C=C1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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