N,N-Dimethylthioformamid

N,N-Dimethylthioformamide

HCID 69794

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Grundinformationen

CAS: 758-16-7
Standard-SMILES: CN(C)C=S
InChIKey: SKECXRFZFFAANN-UHFFFAOYSA-N
Summenformel: C3H7NS
Durchschnittliche Molmasse: 89,16 g/mol
Monoisotopische Masse: 89,02992022

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethylthioformamide
IUPAC: N,N-dimethylmethanethioamide
Lokaler Name: N,N-Dimethylthioformamid
Englischer Name: N,N-DIMETHYLTHIOFORMAMIDE
Summenformel: C3H7NS
Molmasse: 89.16

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 33,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: -9 °C · -9°C(lit.)
Siedepunkt: 58 · 58-60 °C1 mm Hg(lit.)
Dichte: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.576(lit.)
Flammpunkt: 211 °F · 211 °F
storage temp.: 2 · 2-8°C
Löslichkeit: sol THF, ethyl acetate, toluene, DMF
Aggregatzustand: liquid
pka: 1.71 · 1.71±0.50(Predicted)
Wasserlöslichkeit: 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 Datenbank: 758 · 758-16-7(CAS DataBase Reference)
EPA chemische Informationen: Methanethioamide, N,N-dimethyl- (758-16-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29309090
risk_code: 21/22
hazard_code: Xn
safety_code: 36/37
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects