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4-Methylphenylsulfonylurea

CAT: 0013-GTR19252779-01Size: 1 gDry Ice: NoHazardous: No
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Description
4-Methylphenylsulfonylurea
CAS Number
1694-06-0
Smiles
CC1=CC=C (C=C1) S (=O) (=O) NC (N) =O
Molecular Formula
C8H10N2O3S
Molecular Weight
214.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tosylurea

structure given in first source; the major metabolite of tolbutamide

CAS Number1694-06-0
PubChem CID74327
IUPAC Name(4-methylphenyl)sulfonylurea
Molecular FormulaC8H10N2O3S
Molecular Weight214.24
XLogP0.6
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity299
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N
InChI
InChI=1S/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
RUTYWCZSEBLPAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tosylurea
CAS: 1694-06-0
CID: 74327
Formula: C8H10N2O3S
MW: 214.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.24
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass214.04121336
Monoisotopic Mass214.04121336
Topological Polar Surface Area97.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity299
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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