200,000+ products from a single source!
sales@angenechem.com
83782-82-5 | Benzothiazole, 2-[(2-pyridinylmethyl)thio]-
CAS No: 83782-82-5 Catalog No: AG004SLX MDL No:
Product Description
Catalog Number:
AG004SLX
Chemical Name:
Benzothiazole, 2-[(2-pyridinylmethyl)thio]-
CAS Number:
83782-82-5
Molecular Formula:
C13H10N2S2
Molecular Weight:
258.3619
IUPAC Name:
2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H10N2S2/c1-2-7-12-11(6-1)15-13(17-12)16-9-10-5-3-4-8-14-10/h1-8H,9H2
InChI Key:
XICJEXBRMRRJTC-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CSc1nc2c(s1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.357g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.