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115605-29-3 | Urea, N-(5-methyl-2-benzothiazolyl)-
CAS No: 115605-29-3 Catalog No: AG000G8M MDL No:
Product Description
Catalog Number:
AG000G8M
Chemical Name:
Urea, N-(5-methyl-2-benzothiazolyl)-
CAS Number:
115605-29-3
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
IUPAC Name:
(5-methyl-1,3-benzothiazol-2-yl)urea
InChI:
InChI=1S/C9H9N3OS/c1-5-2-3-7-6(4-5)11-9(14-7)12-8(10)13/h2-4H,1H3,(H3,10,11,12,13)
InChI Key:
UPFKSIVOVGFFFR-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1nc2c(s1)ccc(c2)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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