200,000+ products from a single source!
sales@angenechem.com
327104-64-3 | 2-Benzothiazoleacetonitrile,alpha-formyl-(9CI)
CAS No: 327104-64-3 Catalog No: AG00CPBZ MDL No:MFCD02708838
Product Description
Catalog Number:
AG00CPBZ
Chemical Name:
2-Benzothiazoleacetonitrile,alpha-formyl-(9CI)
CAS Number:
327104-64-3
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
MDL Number:
MFCD02708838
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H6N2OS/c11-5-7(6-13)10-12-8-3-1-2-4-9(8)14-10/h1-4,6-7H
InChI Key:
OOUQWCSFFLPIRX-UHFFFAOYSA-N
SMILES:
O=CC(c1nc2c(s1)cccc2)C#N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.