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115011-31-9 | Urea, N-methyl-N'-(5-methyl-2-benzothiazolyl)-
CAS No: 115011-31-9 Catalog No: AG000FM5 MDL No:
Product Description
Catalog Number:
AG000FM5
Chemical Name:
Urea, N-methyl-N'-(5-methyl-2-benzothiazolyl)-
CAS Number:
115011-31-9
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
1-methyl-1-(5-methyl-1,3-benzothiazol-2-yl)urea
InChI:
InChI=1S/C10H11N3OS/c1-6-3-4-8-7(5-6)12-10(15-8)13(2)9(11)14/h3-5H,1-2H3,(H2,11,14)
InChI Key:
ZATIDVVZHMEBLP-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1nc2c(s1)ccc(c2)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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