200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 895935-43-0
895935-43-0 | 1-[(4-isothiocyanatophenyl)sulfonyl]indoline
CAS No: 895935-43-0 Catalog No: AG00JC0Q MDL No:MFCD07626015
Product Description
Catalog Number:
AG00JC0Q
Chemical Name:
1-[(4-isothiocyanatophenyl)sulfonyl]indoline
CAS Number:
895935-43-0
Molecular Formula:
C15H12N2O2S2
Molecular Weight:
316.3980
MDL Number:
MFCD07626015
IUPAC Name:
1-(4-isothiocyanatophenyl)sulfonyl-2,3-dihydroindole
InChI:
InChI=1S/C15H12N2O2S2/c18-21(19,14-7-5-13(6-8-14)16-11-20)17-10-9-12-3-1-2-4-15(12)17/h1-8H,9-10H2
InChI Key:
QDJAXTIEEMHTMF-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.393g/mol
Monoisotopic Mass:
316.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.