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Anticancer agent 38

CAT: 0013-GTR19188164-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188164-01Size:25 mg
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Description
Anticancer agent 38
CAS Number
69123-54-2
Smiles
CC1=CC=C (NC (=O) NC2=NC=CS2) C=C1
Molecular Formula
C11H11N3OS
Molecular Weight
233.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
CAS Number69123-54-2
PubChem CID324089
IUPAC Name1-(4-methylphenyl)-3-(1,3-thiazol-2-yl)urea
Molecular FormulaC11H11N3OS
Molecular Weight233.29
XLogP2.5
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=NC=CS2
InChI
InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)13-10(15)14-11-12-6-7-16-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKey
SCKHIOSDMOKXAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
CAS: 69123-54-2
CID: 324089
Formula: C11H11N3OS
MW: 233.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.29
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.06228316
Monoisotopic Mass233.06228316
Topological Polar Surface Area82.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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