200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 1396784-12-5
1396784-12-5 | 1-(2-OXO-2-PYRROLIDIN-1-YLETHYL)-1H-INDOL-3-YL IMIDOTHIOCARBAMATE HYDROIO+
CAS No: 1396784-12-5 Catalog No: AG01AQUR MDL No:MFCD16661010
Product Description
Catalog Number:
AG01AQUR
Chemical Name:
1-(2-OXO-2-PYRROLIDIN-1-YLETHYL)-1H-INDOL-3-YL IMIDOTHIOCARBAMATE HYDROIO+
CAS Number:
1396784-12-5
Molecular Formula:
C15H19IN4OS
Molecular Weight:
430.3070
MDL Number:
MFCD16661010
IUPAC Name:
[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl] carbamimidothioate;hydroiodide
InChI:
InChI=1S/C15H18N4OS.HI/c16-15(17)21-13-9-19(12-6-2-1-5-11(12)13)10-14(20)18-7-3-4-8-18;/h1-2,5-6,9H,3-4,7-8,10H2,(H3,16,17);1H
InChI Key:
USBUVONTIGMHOE-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1cn(c2c1cccc2)CC(=O)N1CCCC1.I
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
430.308g/mol
Monoisotopic Mass:
430.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.