CAS 758-16-7 N,N-Dimethylthioformamide (HCID 69794)

Overview

structure in first source

Names & identifiers

Preferred name: N,N-Dimethylthioformamide
IUPAC: N,N-dimethylmethanethioamide
English name: N,N-DIMETHYLTHIOFORMAMIDE
Molecular formula: C3H7NS
Molecular weight: 89.16

Names & synonyms

N,N-dimethylthioformamide758-16-7Methanethioamide, N,N-dimethyl-RefChem:161325212-060-7DimethylthioformamideN,N-dimethylmethanethioamideFormamide, N,N-dimethylthio-MFCD00004943EINECS 212-060-7NSC 402082NN-Dimethylthioformamide

Show more names

N,N-dimethylthioforamideN,N-Dimethylformthioamiden,n-dimethyl-methanethioamid(Dimethylamino)methanethione

Formamide,N-dimethylthio-(dimethylamino)methanethialN,N-dimethyl-thioformamidemethanethioamide, dimethyl-HCSN(CH3)2Methanethioamide,N-dimethyl-SCHEMBL207783SCHEMBL207784

Database identifiers

CAS: 758-16-7
PubChem CID: 69794
DTXSID: DTXSID6061076
ChEMBL: CHEMBL4530853
EC Number: 212-060-7
Nikkaji: J136.546K

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 33.9

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -9 °C · -9°C(lit.)
Boiling point: 58 · 58-60 °C1 mm Hg(lit.)
Density: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.576(lit.)
Flash point: 211 °F · 211 °F
storage temp.: 2 · 2-8°C
solubility: sol THF, ethyl acetate, toluene, DMF
form: liquid
pka: 1.71 · 1.71±0.50(Predicted)
Appearance: yellow to colorless liquid.
Water Solubility: Fully miscible in water.
BRN: 1737191 · 1737191
Dielectric constant: 47.5 · 47.5
InChI: 1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
InChIKey: SKECXRFZFFAANN-UHFFFAOYSA-N
SMILES: [H]C(=S)N(C)C
CAS DataBase Reference: 758 · 758-16-7(CAS DataBase Reference)
EPA Substance Registry System: Methanethioamide, N,N-dimethyl- (758-16-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H311-H315-H319-H332-H335-H302+H312
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P501-P261-P301+P310a-P305+P351+P338-P405-P501a
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 21 · 21/22
Safety Statements: 36 · 36/37
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
F: 13 · 13
TSCA: TSCA listed
HS Code: 29309090 · 29309090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationMethanethioamide, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Safety data

F: 13
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29309090
risk_code: 21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
safety_code: 36/37
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H311-H315-H319-H332-H335-H302+H312
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P501-P261-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanethioamide, N,N-dimethyl-: INACTIVE

Applications

UsesIt is used in telecommunication.

General DescriptionN,N-Dimethylthioformamide undergoes desulfurization reaction with hydrosilane under photo irradiation in the presence of a methyl iron complex. It forms a deep-orange complex with anhydrous bismuth(III) trifluoromethanesulfonate.