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86893-76-7 | Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-methyl-
CAS No: 86893-76-7 Catalog No: AG004LVR MDL No:
Product Description
Catalog Number:
AG004LVR
Chemical Name:
Urea, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N'-methyl-
CAS Number:
86893-76-7
Molecular Formula:
C9H10N6OS
Molecular Weight:
250.2803
IUPAC Name:
1-methyl-3-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]urea
InChI:
InChI=1S/C9H10N6OS/c1-10-8(16)11-6-3-2-4-7(5-6)15-9(17)12-13-14-15/h2-5H,1H3,(H2,10,11,16)(H,12,14,17)
InChI Key:
ALAVMPYROHSFFR-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc(c1)n1[nH]nnc1=S
EC Number:
448-330-8
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.28g/mol
Monoisotopic Mass:
250.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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