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105734-45-0 | Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105734-45-0 Catalog No: AG0085C2 MDL No:
Product Description
Catalog Number:
AG0085C2
Chemical Name:
Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105734-45-0
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
IUPAC Name:
(5-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C9H9N3OS/c1-5-2-3-7-6(4-5)8(12-14-7)11-9(10)13/h2-4H,1H3,(H3,10,11,12,13)
InChI Key:
OUIQWMBAAIIZHB-UHFFFAOYSA-N
SMILES:
Cc1cc2c(NC(=O)N)nsc2cc1
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:
1.6
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