N,N-Dimethylsulfamide

HCID 134472

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3984-14-3
Standard SMILES: CN(C)S(N)(=O)=O
InChIKey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
Molecular formula: C2H8N2O2S
Average molar mass: 124.17 g/mol
Monoisotopic mass: 124.0306485

Overview

a degradation product of the fungicide tolylfluanide; structure in first source

Names & identifiers

Preferred name: N,N-Dimethylsulfamide
IUPAC: [methyl(sulfamoyl)amino]methane
English name: N,N-Dimethylsulfamide
Molecular formula: C2H8N2O2S
Molecular weight: 124.16

Names & synonyms

N,N-Dimethylsulfamide3984-14-3Sulfamide, N,N-dimethyl-UH49VX43K7DTXSID3074735RefChem:822646DTXCID1039682(dimethylsulfamoyl)amine[methyl(sulfamoyl)amino]methaneDimethylsulfamideMFCD01861286N,N-Dimethylsulphamide

Show more names

EOS-60610N.N-DiMethylsuFomesafen Impurity 6N,N-Dimethylsulfamide>N,N-DIMETHYLSULFAMOYLAMIDEN,N-Dimethylsulfamide, ≥ 98.0%

N,N-dimethylsulfuric diamideN,N-DimethylsulfamoylamideQMHAHUAQAJVBIW-UHFFFAOYSA-SULPHAMIDE, N,N-DIMETHYL-Q1225752F3334-0811dimethyl(sulfamoyl)amineaminodimethylsulfonamide

Database identifiers

CAS: 3984-14-3
PubChem CID: 134472
DTXSID: DTXSID3074735
UNII: UH49VX43K7
EC Number: 818-440-4
Nikkaji: J1.413.693B

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

Physicochemical properties

Melting point: 95 · 95-96
Boiling point: 216.9 · 216.9±23.0 °C(Predicted)
Density: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 11.41 · 11.41±0.60(Predicted)
color: White to Off-White
CAS DataBase Reference: 3984 · 3984-14-3(CAS DataBase Reference)
FDA UNII: 49 VX43K7 · UH49VX43K7
EPA Substance Registry System: Sulfamide, N,N-dimethyl- (3984-14-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H335-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety Statements: 24 · 24/25
HS Code: 2935.9 · 2935.90.9500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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

hs_code: 2935.90.9500
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H319-H335-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

Use ClassificationPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

Applications · 1 item

UsesN,N-Dimethylsulfamide 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.