Basic information
- CAS
95473-30-6- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(N)=O- InChIKey
SRCPGSKDFKGYHP-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5S
- Average molar mass
- 258.25 g/mol
- Monoisotopic mass
- 258.0310426
Names & identifiers
- Preferred name
- Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate
- IUPAC
- methyl 2-(carbamoylsulfamoyl)benzoate
Names & synonyms
95473-30-6Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoatemethyl 2-[[(aminocarbonyl)amino]sulfonyl]benzoateUNII-1242J3DQQO1242J3DQQOBenzoic acid, 2-(((aminocarbonyl)amino)sulfonyl)-, methyl esterDTXSID80241853Benzoic acid, 2-[[(aminocarbonyl)amino]sulfonyl]-, methyl esterRefChem:157239DTXCID10164344828-041-7Methyl 2-(carbamoylsulfamoyl)benzoate
Show more names
Methyl 2-[(carbamoylamino)sulfonyl]benzoateMethyl 2-(N-carbamoylsulfamoyl)benzoatemetsulfuron-methyl TP3starbld0031315Phenylurea (IN-B5685)SCHEMBL6535568VDA47330CS-0236757
Database identifiers
- CAS
95473-30-6- PubChem CID
- 185403
- DTXSID
DTXSID80241853- UNII
- 1242J3DQQO
- EC Number
- 828-041-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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
Warning
H303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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