1-(3,4-Dichlorophenyl)-3-(4-sulfamoylphenyl)-2-thiourea
Basic information
- CAS
92023-65-9- Standard SMILES
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1- InChIKey
QMIWMLSTKCUDPM-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2N3O2S2
- Average molar mass
- 376.3 g/mol
- Monoisotopic mass
- 374.9669743
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-3-(4-sulfamoylphenyl)-2-thiourea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(4-sulfamoylphenyl)thiourea
- English name
- 1-(3,4-Dichlorophenyl)-3-(4-sulfamoylphenyl)-2-thiourea
- Molecular formula
- C13H11Cl2N3O2S2
- Molecular weight
- 376.28
Names & synonyms
92023-65-91-(3,4-dichlorophenyl)-3-(4-sulfamoylphenyl)-2-thioureaRefChem:422791665-108-84-({[(3,4-dichlorophenyl)amino]carbonothioyl}amino)benzenesulfonamideOprea1_657481SCHEMBL5453541STK489924AKOS003349501ST509068074-{[(3,4-dichlorophenyl)carbamothioyl]amino}benzenesulfonamide4-({[(3,4-dichlorophenyl)amino]thioxomethyl}amino)benzenesulfonamide
Show more names
Benzenesulfonamide, 4-[[[(3,4-dichlorophenyl)amino]thioxomethyl]amino]-
Database identifiers
- CAS
92023-65-9- PubChem CID
- 4147516
- EC Number
- 665-108-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 539 · 539.0±60.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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