结构:CSC(SC)=C(C#N)C#N
HCID99229

2-(Bis(methylsulfanyl)methylidene)propanedinitrile

2-[bis(methylsulfanyl)methylidene]propanedinitrile

C6H6N2S2170.3 g/molCAS 5147-80-8

IDENTITY

结构与身份

标准 SMILES
CSC(SC)=C(C#N)C#N
InChIKey
FICQFRCPSFCFBY-UHFFFAOYSA-N
分子式
C6H6N2S2
平均分子量
170.3 g/mol
单同位素质量
169.99724055

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
98.2 Ų
氢键供体
0
氢键受体
4
可旋转键
2
重原子
10
形式电荷
0
复杂度
213

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (16.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.;There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).;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
Hazard Classes and Categories

Acute Tox. 4 (93.9%);Acute Tox. 4 (12.2%);Skin Irrit. 2 (16.3%);Eye Irrit. 2 (16.3%);Acute Tox. 4 (12.2%);STOT SE 3 (14.3%)

ALIASES

名称与别名

70
2-[bis(methylsulfanyl)methylidene]propanedinitrile2-(Bis(methylsulfanyl)methylidene)propanedinitrileRefChem:459879689-903-45147-80-82-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE2-(bis(methylthio)methylene)malononitrile[bis(methylthio)methylene]malononitrilepropanedinitrile, [bis(methylthio)methylene]-MFCD000527302-[bis(methylthio)methylene]malononitrile3,3-bis(methylthio)-2-cyanoacrylonitrile(Bis(methylthio)methylene)propanedinitrile[bis(methylthio)methylene]propanedinitrile[bis(methylsulfanyl)methylene]malononitrilePropanedinitrile, (bis(methylthio)methylene)-[bis(methylsulfanyl)methylidene]propanedinitrile(dimethylthiomethylene)methane-1,1-dicarbonitrileBis(methylthio)methylenemalononitrile2-cyano-3

REACTIONS

参与反应

78
HRID141327

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 141327 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID205129

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

作为反应物
HRID 205129 方程式

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

查看条件与参与物
HRID288452

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 288452 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物