N,N-Dimethylsulfamide - CAS 3984-14-3
Catalog: |
BB024154 |
Product Name: |
N,N-Dimethylsulfamide |
CAS: |
3984-14-3 |
Synonyms: |
[methyl(sulfamoyl)amino]methane; [methyl(sulfamoyl)amino]methane |
IUPAC Name: | [methyl(sulfamoyl)amino]methane |
Description: | N,N-Dimethylsulfamide (CAS# 3984-14-3) is a byproduct of Tolylfluanide (T536730) fungicide decomposition found in some waters. Upon ozonization it becomes a precursor for carcinogenic Nitrosodimethylamine (N525625). Otherwise N,N-Dimethylsulfamide is a versatile reactant used in various syntheses such as preparation of N-sulfonylbenzaldimines in copper-catalyzed aza-Friedel-Crafts reactions with 1-methylindole. |
Molecular Weight: | 124.16 |
Molecular Formula: | C2H8N2O2S |
Canonical SMILES: | CN(C)S(=O)(=O)N |
InChI: | InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6) |
InChI Key: | QMHAHUAQAJVBIW-UHFFFAOYSA-N |
Boiling Point: | 216.9 °C at 760 mmHg |
Density: | 1.327 g/cm3 |
MDL: | MFCD01861286 |
LogP: | 0.53260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021140899-A1 | Composition, slurry, method for producing electrode, and alkaline secondary battery | 20200109 |
WO-2021132577-A1 | Acylsulfamide compound and pharmaceutical use therefor | 20191227 |
WO-2021116050-A1 | New braf inhibitors as paradox breakers | 20191210 |
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PMID | Publication Date | Title | Journal |
22213400 | 20120301 | Aging of methabenzthiazuron, imidacloprid, and N,N-dimethylsulfamide in silty soils and effects on sorption and dissipation | Environmental toxicology and chemistry |
20614903 | 20100801 | Kinetics and mechanisms of N-nitrosodimethylamine formation upon ozonation of N,N-dimethylsulfamide-containing waters: bromide catalysis | Environmental science & technology |
19706317 | 20100301 | The relevance of 'non-relevant metabolites' from plant protection products (PPPs) for drinking water: the German view | Regulatory toxicology and pharmacology : RTP |
19544056 | 20091101 | Determination of the polar pesticide degradation product N,N-dimethylsulfamide in aqueous matrices by UPLC-MS/MS | Analytical and bioanalytical chemistry |
18800499 | 20080901 | N,N-dimethylsulfamide as precursor for N-nitrosodimethylamine (NDMA) formation upon ozonation and its fate during drinking water treatment | Environmental science & technology |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.03064868 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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