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115948-33-9 | Urea, N'-[4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N,N-dimethyl-
CAS No: 115948-33-9 Catalog No: AG000H5S MDL No:
Product Description
Catalog Number:
AG000H5S
Chemical Name:
Urea, N'-[4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-N,N-dimethyl-
CAS Number:
115948-33-9
Molecular Formula:
C10H12N6OS
Molecular Weight:
264.3069
IUPAC Name:
1,1-dimethyl-3-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]urea
InChI:
InChI=1S/C10H12N6OS/c1-15(2)9(17)11-7-3-5-8(6-4-7)16-10(18)12-13-14-16/h3-6H,1-2H3,(H,11,17)(H,12,14,18)
InChI Key:
PUCYKYPETCKXQV-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(cc1)n1[nH]nnc1=S
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.307g/mol
Monoisotopic Mass:
264.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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