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86893-78-9 | Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-propyl-
CAS No: 86893-78-9 Catalog No: AG004LVQ MDL No:
Product Description
Catalog Number:
AG004LVQ
Chemical Name:
Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-propyl-
CAS Number:
86893-78-9
Molecular Formula:
C11H14N6OS
Molecular Weight:
278.3335
IUPAC Name:
1-propyl-3-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]urea
InChI:
InChI=1S/C11H14N6OS/c1-2-6-12-10(18)13-8-4-3-5-9(7-8)17-11(19)14-15-16-17/h3-5,7H,2,6H2,1H3,(H2,12,13,18)(H,14,16,19)
InChI Key:
HMOWMULVAGRWDI-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.334g/mol
Monoisotopic Mass:
278.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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