1-アリル-2-チオ尿素

Allylthiourea

HCID 1549517CAS 109-57-9

基本情報

標準SMILES
C=CCNC(N)=S
InChIKey
HTKFORQRBXIQHD-UHFFFAOYSA-N
分子式
C4H8N2S
平均分子量
116.19 g/mol
単同位体質量
116.04081926

概要

Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)

名称と識別子

優先名称
Allylthiourea
IUPAC
prop-2-enylthiourea
現地名
1-アリル-2-チオ尿素
英語名
N-Allylthiourea
分子式
C4H8N2S
分子量
116.18

名称と別名

ALLYLTHIOUREAN-Allylthiourea109-57-9Thiosinamine1-Allyl-2-thiourea1-AllylthioureaRhodallineThiosinaminAminosinRhodallinAllylthiocarbamideThiosinaminum
名称をさらに表示
1-アリル-2-チオ尿素アミノシンアリルチオカルバミドN-(2-プロペニル)チオ尿素チオシナミンアリルチオ尿素2-プロペニルチオ尿素1-アリルチオ尿素ローダリンN-アリルチオ尿素N-2-プロペニルチオ尿素1‐アリル‐2‐チオ尿素N-アリルチオ尿素, 98%u19571Rhodalin
ThiocynamineTiosinamine(2-Propenyl)thioureaAllylthioureeAliltioureaUrea, 1-allyl-2-thio-DTXSID3024449U 19571

データベース識別子

CAS
109-57-9
PubChem CID
1549517
DTXSID
DTXSID3024449
ChEMBL
CHEMBL1451910
ChEBI
CHEBI:74079
UNII
706IDJ14B7
EC Number
203-683-5
Nikkaji
J2.432E

物性

構造計算による物性

XLogP
0.2
極性表面積
70.1 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
2
重原子数
7

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure
Density1.11 to 1.22 (NTP, 1992)
Solubility · 2 件

10 to 50 mg/mL at 67.1 °F (NTP, 1992)

>17.4 [ug/mL] (The mean of the results at pH 7.4)

Melting Point158 to 172 °F (NTP, 1992)
Physical DescriptionAllylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)

物理化学的性質

融点
70 · 70-72 °C(lit.)
沸点
191.3 · 191.3±33.0 °C(Predicted)
比重(密度)
1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
屈折率
1.5936 · 1.5936 (estimate)
貯蔵温度
30 °C · Store below +30°C.
溶解性
2 O:ソリュブル30部 · H2O:ソリュブル30部
化学的性質 · 1 件

化学的特性white crystals or powder. Melting point 76~78.5 ℃, relative density is 1.110, soluble in water and ethanol, slightly soluble in ethanol, insoluble in benzene, with a garlic odor. It is used as an additive for cyanide-free copper plating to increase the brightness and corrosion resistance of plated products.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 197 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Thiourea, 2-propenyl-

Allylthiourea: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Contact eczema due to sensitization in humans has been reported. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1 件

ALLYLTHIOUREA may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases. May generate flammable gases in combination with aldehydes, nitrides, and hydrides. Incompatible with peroxides and acid halides.

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
2
tsca
TSCA listed
rtecs
YR8050000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 orally in rats: 200 mg/kg (Dieke)
hs_code
29309070

化学と産業

用途と製造

General Manufacturing InformationThiourea, N-2-propen-1-yl-: ACTIVE
応用分野 · 3 件

用途有機合成原料、生化学研究用。

使用N-Allylthiourea is a nitrification inhibitor used in the study on the transformation of diclofenac, naproxen and bisoprolol under aerobic and anaerobic conditions. It is also used in medicine to minimize scar tissue in order to fight against a type of dermatitis. Further, it inhibits the growth of transplanted tumors in mice. It acts as a chelating agent. In addition, it is used in cosmetics, preservative and in organic synthesis.

一般的な説明White crystalline solid with a slight garlic odor.

調製方法 · 2 件

製造方法In the presence of potassium iodide, in ethanol solution, chloropropene is reacted with sodium thiocyanide to form allyl isothiocyanate, which is then ammoniated in ammonium hydroxide solution, concentrated, cooled and crystallized, filtered, washed, and recrystallized in ethanol or water to produce Allylthiourea.

純化方法Recrystallise it from H2O. It is soluble in 30 parts of cold H2O, and it is soluble in EtOH but insoluble in *C6H6. It has also been recrystallised from acetone, EtOH or ethyl acetate, after decolorising with charcoal. The white crystals have a bitter taste with a slight garlic odour and are TOXIC. An unstable crystalline form is obtained by recrystallising from the melt. [McCrone et al. Anal Chem 21 421 1949, Beilstein 4 IV 1072.]

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: Allylthiourea is a thiourea with a prop-2-enyl group attached to one of the amines. It has a role as a metabolite. It is functionally related to a thiourea.

関連反応

5 件

関連ノート

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