CAS 7204-46-8 Diethylthiourea (HCID 854389)

基本情報

CAS: 7204-46-8
標準SMILES: CCN(CC)C(N)=S
InChIKey: CNLHIRFQKMVKPX-UHFFFAOYSA-N
分子式: C5H12N2S
平均分子量: 132.23 g/mol

名称と識別子

優先名称: Diethylthiourea
IUPAC: 1,1-diethylthiourea
現地名: 1,1-ジエチルチオ尿素
英語名: N,N-Diethylthiourea
分子式: C5H12N2S
分子量: 132.23

名称と別名

Diethylthiourea26914-14-7RefChem:1612051,1-diethylthioureaN,N-diethylthiourea7204-46-8Thiourea, N,N-diethyl-NSC-52047711C3P5I496NSC520477N,N-Diethyl-thiourea1,1-diethylisothiourea

名称をさらに表示

1,1-ジエチルチオ尿素

SCHEMBL96554SCHEMBL1266502SCHEMBL8663660SCHEMBL10880401UNII-11C3P5I496HMS1783N05amino(diethylamino)methane-1-thioneSTK370044

データベース識別子

CAS: 7204-46-8
PubChem CID: 854389
UNII: 11C3P5I496
EC Number: 838-195-7
Nikkaji: J81.349D

物性

構造計算による物性

XLogP: 0.5
極性表面積: 61.4 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 78.5

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点: 101 · 101-102 °C
沸点: 188.3 · 188.3±23.0 °C(Predicted)
比重(密度): 1.041 · 1.041±0.06 g/cm3(Predicted)
酸解離定数(Pka): 15.63 · 15.63±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

毒性情報

Skin Symptoms · 1 件

Dialkyl Thiourea was selected as the 2009 American Contact Dermatitis Society Allergen of the Year, and the authors also state that Mixed Dialkyl Thioureas (MDTUs) are the 2009 Allergen of the Year. The neoprene-related cases of allergic contact dermatitis qre from rubber orthopedic braces, prostheses, splints, athletic shoes, rubber masks, swim gog gles, and wet suits.

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H301

化学と産業

用途と製造

UsesThe authors of this 2020 publication note that Mixed Dialkyl Thioureas are commonly found in rubber, e.g., in neoprene, glues, textiles,and insecticides, and in the photocopying and photographic industries as antioxidants and fixatives.