200,000+ products from a single source!
sales@angenechem.com
29556-81-8 | 1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(octadecylamino)-
CAS No: 29556-81-8 Catalog No: AG002YRF MDL No:
Product Description
Catalog Number:
AG002YRF
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(octadecylamino)-
CAS Number:
29556-81-8
Molecular Formula:
C21H40N4S2
Molecular Weight:
412.6991
IUPAC Name:
6-(octadecylamino)-1H-1,3,5-triazine-2,4-dithione
InChI:
InChI=1S/C21H40N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23-20(26)25-21(27)24-19/h2-18H2,1H3,(H3,22,23,24,25,26,27)
InChI Key:
MHYXZOVTQGTECQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNc1nc(=S)[nH]c(=S)[nH]1
NSC Number:
65471
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.269g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.699g/mol
Monoisotopic Mass:
412.269g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.