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26135-12-6 | Urea, N-2-benzothiazolyl-N'-phenyl-
CAS No: 26135-12-6 Catalog No: AG002RT1 MDL No:MFCD00022855
Product Description
Catalog Number:
AG002RT1
Chemical Name:
Urea, N-2-benzothiazolyl-N'-phenyl-
CAS Number:
26135-12-6
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD00022855
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-3-phenylurea
InChI:
InChI=1S/C14H11N3OS/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h1-9H,(H2,15,16,17,18)
InChI Key:
LDFWEBWORFXBQN-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc2c(s1)cccc2)Nc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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