200,000+ products from a single source!
sales@angenechem.com
95697-53-3 | 2(1H)-NAPHTHALENONE, 1-[2-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-
CAS No: 95697-53-3 Catalog No: AG006BSO MDL No:
Product Description
Catalog Number:
AG006BSO
Chemical Name:
2(1H)-NAPHTHALENONE, 1-[2-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-
CAS Number:
95697-53-3
Molecular Formula:
C21H17NOS
Molecular Weight:
331.4308
IUPAC Name:
1-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]naphthalen-2-one
InChI:
InChI=1S/C21H17NOS/c1-2-22-18-9-5-6-10-20(18)24-21(22)14-12-17-16-8-4-3-7-15(16)11-13-19(17)23/h3-14H,2H2,1H3
InChI Key:
JZFXWYPVXGMIKL-UHFFFAOYSA-N
SMILES:
CCn1c(=CC=C2C(=O)C=Cc3c2cccc3)sc2c1cccc2
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.433g/mol
Monoisotopic Mass:
331.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.