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24814-30-0 | Urea, N'-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethyl-
CAS No: 24814-30-0 Catalog No: AG002PJC MDL No:
Product Description
Catalog Number:
AG002PJC
Chemical Name:
Urea, N'-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethyl-
CAS Number:
24814-30-0
Molecular Formula:
C9H16N4OS
Molecular Weight:
228.3145
IUPAC Name:
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
InChI:
InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-7(15-6)10-8(14)13(4)5/h1-5H3,(H,10,12,14)
InChI Key:
IHVVVNGPIPAMRE-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1nnc(s1)C(C)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.314g/mol
Monoisotopic Mass:
228.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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