200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 731815-70-6
731815-70-6 | 4-butyl-4H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS No: 731815-70-6 Catalog No: AG019IOK MDL No:MFCD04627907
Product Description
Catalog Number:
AG019IOK
Chemical Name:
4-butyl-4H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Number:
731815-70-6
Molecular Formula:
C13H14N4S
Molecular Weight:
258.3421
MDL Number:
MFCD04627907
IUPAC Name:
4-butyl-5H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C13H14N4S/c1-2-3-8-17-12-11(15-16-13(17)18)9-6-4-5-7-10(9)14-12/h4-7,14H,2-3,8H2,1H3
InChI Key:
FBVZLVYPBMXVNZ-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nnc2c1nc1c2cccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.343g/mol
Monoisotopic Mass:
258.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^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.