Basic information
- CAS
13909-63-2- Standard SMILES
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1- InChIKey
BBQLCKFJEDETJU-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251331
Overview
See also: 1-Phenyl-3-(P-tosyl)urea (annotation moved to).
Names & identifiers
- Preferred name
- 1-Phenyl-3-(p-toluenesulfonyl)urea
- IUPAC
- 1-(4-methylphenyl)sulfonyl-3-phenylurea
- English name
- N-Phenyl-N'-tosylurea
- Molecular weight
- 0
Names & synonyms
1-phenyl-3-(p-toluenesulfonyl)ureaEC 424-620-1RefChem:435608424-620-113909-63-24-Methyl-N-(phenylcarbamoyl)benzenesulfonamide1-(4-methylphenyl)sulfonyl-3-phenylurea3-(4-METHYLBENZENESULFONYL)-1-PHENYLUREAOprea1_626386Oprea1_744464SCHEMBL27885MLS000714758
Show more names
LY-181985N-Phenyl-N'-tosylurea1-Phenyl-3-(p-tolylsulfonyl)urea1-Phenyl-3-(4-methylphenylsulfonyl)urea1-(4-Methylphenylsulfonyl)-3-phenylurea4-Methyl-N-[(phenylamino)carbonyl]benzenesulfonamide
CHEMBL79192SCHEMBL8810182SCHEMBL23040784DTXSID60877497HMS1726P16HMS2673L16N-(p-toluenesulfonyl)-N'-phenylureaAKOS001024777
Database identifiers
- CAS
13909-63-2- PubChem CID
- 847415
- DTXSID
DTXSID60877497- ChEMBL
CHEMBL79192- EC Number
- 424-620-1
- Nikkaji
- J282.649F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
LogP4.05
Solubility41.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.38 at · 1.38 at 21℃
- vapor pressure
- 8.1 Pa · 8.1Pa at 25℃
- form
- Powder
- LogP
- 2.21 at · 2.21 at 21℃
- Surface tension
- 70.3 mN/m · 70.3mN/m at 27.4mg/L and 20℃
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H373-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P314-P501-P273-P501
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 24-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10187
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H302-H373-H412
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P314-P501-P273-P501
Chemistry & industry
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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