Cyclopentanethiol 分子结构式
HCID15510

Cyclopentanethiol

C5H10S102.2 g/molCAS 1679-07-8

IDENTITY

结构与身份

标准SMILES
SC1CCCC1
InChIKey
WVDYBOADDMMFIY-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
1.8
极性表面积
1 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
6
形式电荷
0
复杂度
37

PROPERTIES

实验与物化性质

来源:PubChem
Density

0.920-0.925

Solubility

758 mg/L @ 25 °C (calc.)

slightly soluble in water; soluble in alcohol and oils

(in ethanol)

Boiling Point

41.00 to 42.00 °C. @ 16.00 mm Hg

131 °C

Refractive Index

1.488

Physical Description

colourless liquid

Kovats Retention Index

829

1107;1111;1133;1139.1

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 45 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

Chemical: Cyclopentanethiol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories

Flam. Liq. 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Cyclopentanethiol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

PHARMACOLOGY

药理信息

来源:PubChem
Cellular Locations

Membrane

USES

用途与制造

来源:PubChem
Use Classification

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information

Cyclopentanethiol: INACTIVE

ALIASES

名称与别名

共 46 条
CYCLOPENTANETHIOL1679-07-8Cyclopentyl mercaptanMercaptocyclopentaneCyclopentylthiolFEMA No. 3262DTXSID1047108BRN 2343861EINECS 216-841-3H279996YO9CYCLOPENTANETHIOL [FHFI]DTXCID90271084-06-00-00015 (Beilstein Handbook Reference)RefChem:581007216-841-3MFCD00001369cyclopentyl thiolUNII-H279996YO9cyclopen-tanethiolcyclopentane thiol

REACTIONS

参与反应

75
HRID 25757 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858627B2

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HRID 62887 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447044B2

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HRID 70719 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822503B2

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HRID 131966 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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HRID 196483 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 219053 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198483B2

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HRID 230831 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566786B2

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HRID 255444 反应方程式

uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093

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