N,N-ジメチルホルムチオアミド

N,N-Dimethylthioformamide

HCID 69794

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 758-16-7
標準SMILES: CN(C)C=S
InChIKey: SKECXRFZFFAANN-UHFFFAOYSA-N
分子式: C3H7NS
平均分子量: 89.16 g/mol
単同位体質量: 89.02992022

概要

structure in first source

名称と識別子

優先名称: N,N-Dimethylthioformamide
IUPAC: N,N-dimethylmethanethioamide
現地名: N,N-ジメチルホルムチオアミド
英語名: N,N-DIMETHYLTHIOFORMAMIDE
分子式: C3H7NS
分子量: 89.16

名称と別名

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

名称をさらに表示

N,N-ジメチルホルムチオアミドN,N-ジメチルメタンチオアミド(ジメチルアミノ)ホルムチオアルデヒド(ジメチルアミノ)メタンチオンN,N-ジメチルチオホルムアミドジメチルチオホルムアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.3
極性表面積: 35.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 33.9

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

物理化学的性質

融点: -9 °C · -9°C(lit.)
沸点: 58 · 58-60 °C1 mm Hg(lit.)
比重(密度): 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.576(lit.)
闪点: 211 °F · 211 °F
貯蔵温度: 2 · 2-8°C
溶解性: sol THF, ethyl acetate, toluene, DMF
外見: liquid
酸解離定数(Pka): 1.71 · 1.71±0.50(Predicted)
水溶解度: 水に完全に混和します。
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 データベース: 758 · 758-16-7(CAS DataBase Reference)
EPAの化学物質情報: Methanethioamide, N,N-dimethyl- (758-16-7)

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全データ

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29309090
risk_code: 21/22
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36/37
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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

応用分野

使用It is used in telecommunication.

一般的な説明N,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.