200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 1081133-51-8
1081133-51-8 | N-(1H-Indol-3-ylmethyl)-3-(methylthio)aniline
CAS No: 1081133-51-8 Catalog No: AG00HB2N MDL No:MFCD11108895
Product Description
Catalog Number:
AG00HB2N
Chemical Name:
N-(1H-Indol-3-ylmethyl)-3-(methylthio)aniline
CAS Number:
1081133-51-8
Molecular Formula:
C16H16N2S
Molecular Weight:
268.3766
MDL Number:
MFCD11108895
IUPAC Name:
N-(1H-indol-3-ylmethyl)-3-methylsulfanylaniline
InChI:
InChI=1S/C16H16N2S/c1-19-14-6-4-5-13(9-14)17-10-12-11-18-16-8-3-2-7-15(12)16/h2-9,11,17-18H,10H2,1H3
InChI Key:
XJGSZPJFIQIRHQ-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)NCc1c[nH]c2c1cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.