200,000+ products from a single source!
sales@angenechem.com
89036-38-4 | Benzothiazole, 2-[(1-naphthalenylmethyl)sulfonyl]-
CAS No: 89036-38-4 Catalog No: AG00428J MDL No:
Product Description
Catalog Number:
AG00428J
Chemical Name:
Benzothiazole, 2-[(1-naphthalenylmethyl)sulfonyl]-
CAS Number:
89036-38-4
Molecular Formula:
C18H13NO2S2
Molecular Weight:
339.4313
IUPAC Name:
2-(naphthalen-1-ylmethylsulfonyl)-1,3-benzothiazole
InChI:
InChI=1S/C18H13NO2S2/c20-23(21,18-19-16-10-3-4-11-17(16)22-18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChI Key:
PXDPAYIELXDCFA-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)Cc1cccc2c1cccc2
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.427g/mol
Monoisotopic Mass:
339.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.