Basic information
- CAS
4710-17-2- Standard SMILES
CN(C)S(=O)(=O)Nc1ccccc1- InChIKey
QCDQDISRALTLNQ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.0619488
Overview
N,N-dimethyl-N'-phenylsulfamide is a member of the class of sulfamides that is N-phenylsulfuric diamide substituted by two methyl groups at the amino nitrogen atom. It is a metabolite of the agrochemical dichlofluanid. It has a role as a marine xenobiotic metabolite.
Names & identifiers
- Preferred name
- Sulfamide, N,N-dimethyl-N'-phenyl-
- IUPAC
- (dimethylsulfamoylamino)benzene
- English name
- DMSA
- Molecular formula
- C8H12N2O2S
- Molecular weight
- 200.26
Names & synonyms
N,N-Dimethyl-N'-phenylsulfamide4710-17-2Sulfamide, N,N-dimethyl-N'-phenyl-N,N-dimethyl-N'-phenylsulfuric diamideBRN 2805076EINECS 225-198-8CHEBI:83467DTXSID601970413-12-00-01118 (Beilstein Handbook Reference)RefChem:186519DTXCID70119532QCDQDISRALTLNQ-UHFFFAOYSA-N
Show more names
DMSA USP/EP/BPC13030000 DMSAGlimepiride Impurity 52DMSA 100 μg/ml AcetonitrileDMSA 100 μg/mL in Acetonitrile
(dimethylsulfamoylamino)benzeneN-(Dimethylsulfamoyl)anilineN-(Dimethylsulfamoyl)aniline-d51246819-81-7dimethyl(phenylsulfamoyl)amineN,N-Dimethyl-N'-phenylsulphamideDimethylaminosulfaniliddimethylaminosulfanilide
Database identifiers
- CAS
4710-17-2- PubChem CID
- 78441
- DTXSID
DTXSID60197041- ChEBI
CHEBI:83467- UNII
- 9F78F3X5G3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Pesticides
Pesticide -> transformation product
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 304 · 304.0±25.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 7.44 · 7.44±0.48(Predicted)
- EWG's Food Scores
- 1 · 1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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. 4 (100%)
Chemistry & industry
Uses & manufacturing
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products
Upstream & downstream products
Downstream products
Suppliers19 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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