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2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE

2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE structure

CAS No:
5147-80-8
Formula:
C6H6N2S2
Chemical Name:
2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE
Synonyms:
NSC 202533;AKOS UB-20051;[Bis(methylthio)m;[Bis(Methylthio)Methylene]Malo;1,1-Dicyano-2,2-bis(methylthio)ethene;[BIS(METHYLTHIO)METHYLENE]MALONONITRILE;1,1-Dicyano-2,2-bis(methylthio)ethylene;3,3-Di(methylthio)-2-cyanoacrylonitrile;3,3-BIS(METHYLTHIO)-2-CYANOACRYLONITRILE;2-[Di(Methylthio)Methylene]Malononitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE Basic Attributes

Molecular Weight：

170.26

Exact Mass：

169.99700

NSC Number：

202533

DSSTox ID：

DTXSID8073344

HScode：

2930909090

Characteristics

PSA：

98.2

XLogP3：

1.4

Appearance：

orange

Density：

1.256 g/cm3

Melting Point：

76-78ºC

Boiling Point：

248.3°C at 760 mmHg

Flash Point：

103.9ºC

Refractive Index：

1.584

Safety Information

Packing level：

Ⅲ

Transport codes：

3439

wgk germany：

hazard class code：

6.1

safety instructions：

S28-S36/37/39-S38-S45

Marks：

T,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:170.3
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:169.99724055
Monoisotopic Mass:169.99724055
Topological Polar Surface Area:98.2
Heavy Atom Count:10
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE

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