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65553-15-3 | Urea, N'-[4-cyano-3-(ethylthio)-5-isothiazolyl]-N,N-dimethyl-
CAS No: 65553-15-3 Catalog No: AG006RHL MDL No:
Product Description
Catalog Number:
AG006RHL
Chemical Name:
Urea, N'-[4-cyano-3-(ethylthio)-5-isothiazolyl]-N,N-dimethyl-
CAS Number:
65553-15-3
Molecular Formula:
C9H12N4OS2
Molecular Weight:
256.3478
IUPAC Name:
3-(4-cyano-3-ethylsulfanyl-1,2-thiazol-5-yl)-1,1-dimethylurea
InChI:
InChI=1S/C9H12N4OS2/c1-4-15-8-6(5-10)7(16-12-8)11-9(14)13(2)3/h4H2,1-3H3,(H,11,14)
InChI Key:
HJCGOLQXLUXGKS-UHFFFAOYSA-N
SMILES:
CCSc1nsc(c1C#N)NC(=O)N(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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