ペンタメチレンスルフィド

Thiane

HCID 15367
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基本情報

CAS
1613-51-0
標準SMILES
C1CCSCC1
InChIKey
YPWFISCTZQNZAU-UHFFFAOYSA-N
分子式
C5H10S
平均分子量
102.2 g/mol
単同位体質量
102.05032149

名称と識別子

優先名称
Thiane
IUPAC
thiane
現地名
ペンタメチレンスルフィド
英語名
Thiane
分子式
C5H10S
分子量
102.2

名称と別名

Thiane1613-51-0TetrahydrothiopyranPentamethylene sulfide2H-Thiopyran, tetrahydro-TETRAHYDRO-2H-THIOPYRANThiacyclohexanePenthiophaneTetrahydrothiapyran1413-51-0MFCD00006662P9BB3YF628
名称をさらに表示
ペンタメチレンスルフィドペンタメチレンスルフィド チアシクロヘキサンチアンテトラヒドロ-2H-チオピランペンタメチレン=スルフィドテトラヒドロチオピランチアシクロヘキサンPENTAMETHYLENE SULPHIDE2H-Thiopyran,tetrahydro-
NSC-9459pentamethylenesulfidethiantetrahydro-thiopyranEINECS 216-561-1Pentamethylene sulfaneSCHEMBL3431UNII-P9BB3YF628

データベース識別子

CAS
1613-51-0
PubChem CID
15367
DTXSID
DTXSID60167108
UNII
P9BB3YF628
EC Number
216-561-1
Nikkaji
J7.531K

物性

構造計算による物性

XLogP
1.7
極性表面積
25.3 Ų
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
6

実験および物理化学的性質

Vapor Pressure8.0 [mmHg]
Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Kovats Retention Index · 2 件

880；850；842；842；880

860

物理化学的性質

融点
18.99 °C · 18.99°C
沸点
140 · 140-142°C
比重(密度)
0 · 0,988 g/cm3
屈折率
1.506 · 1.5060
闪点
21 °C · 21°C
溶解性
Chloroform (Slightly), Methanol (Slightly)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information2H-Thiopyran, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Diethyl sulfide and Tetrahydrothiophene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

法規制情報

Regulatory Information2H-Thiopyran, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

ridadr
1993
hs_code
2934.99.9001
risk_code
10
消防法
危-4-2-III
safety_code
16-23-24/25
hazard_class
3

化学と産業

応用分野

用途有機合成原料。

使用It is a useful 5 c synthon for the synthesis of 3-cyclopentenones. It is a organic sulfide, that has shown to have antioxidant activity.

上流・下流製品情報

サプライヤー65 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]

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