200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88873-60-3
88873-60-3 | Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-hexyl-
CAS No: 88873-60-3 Catalog No: AG0049N1 MDL No:
Product Description
Catalog Number:
AG0049N1
Chemical Name:
Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-hexyl-
CAS Number:
88873-60-3
Molecular Formula:
C14H20N6OS
Molecular Weight:
320.4132
IUPAC Name:
1-hexyl-3-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]urea
InChI:
InChI=1S/C14H20N6OS/c1-2-3-4-5-9-15-13(21)16-11-7-6-8-12(10-11)20-14(22)17-18-19-20/h6-8,10H,2-5,9H2,1H3,(H2,15,16,21)(H,17,19,22)
InChI Key:
SJVZLRIOCPYRMQ-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.415g/mol
Monoisotopic Mass:
320.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.