Thiane 分子结构式
HCID15367

Thiane

C5H10S102.2 g/molCAS 1613-51-0

IDENTITY

结构与身份

标准SMILES
C1CCSCC1
InChIKey
YPWFISCTZQNZAU-UHFFFAOYSA-N
分子式
C5H10S
平均分子量
102.2 g/mol
单同位素质量
102.05032149

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
25.3 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
6
形式电荷
0
复杂度
30

PROPERTIES

实验与物化性质

来源:PubChem
Vapor Pressure

8.0 [mmHg]

Physical Description

Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]

Kovats Retention Index

880;850;842;842;880

860

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

2H-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 Summary

May cause irritation; [Alfa Aesar MSDS] See Diethyl sulfide and Tetrahydrothiophene.

Hazard Classes and Categories

Flam. Liq. 2 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

2H-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.

ALIASES

名称与别名

共 45 条
Thiane1613-51-0TetrahydrothiopyranPentamethylene sulfide2H-Thiopyran, tetrahydro-TETRAHYDRO-2H-THIOPYRANThiacyclohexanePenthiophaneTetrahydrothiapyran1413-51-0MFCD00006662P9BB3YF628NSC-9459pentamethylenesulfidethiantetrahydro-thiopyranEINECS 216-561-1Pentamethylene sulfaneSCHEMBL3431UNII-P9BB3YF628

REACTIONS

参与反应

2
HRID 394425 反应方程式

uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06602647B2

查看
HRID 988944 反应方程式

uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06638685B2

查看