200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 927426-96-8
927426-96-8 | 1H-Indole, 2,3-dihydro-1-(1H-imidazol-5-ylmethyl)-6-(methylthio)-
CAS No: 927426-96-8 Catalog No: AG006EJ1 MDL No:
Product Description
Catalog Number:
AG006EJ1
Chemical Name:
1H-Indole, 2,3-dihydro-1-(1H-imidazol-5-ylmethyl)-6-(methylthio)-
CAS Number:
927426-96-8
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
IUPAC Name:
1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-2,3-dihydroindole
InChI:
InChI=1S/C13H15N3S/c1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
InChI Key:
NBVVJPJJUKTPQD-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)N(CC2)Cc1cnc[nH]1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.