2-(Thiophen-2-yl)malononitrile
Basic information
- CAS
28162-32-5- Standard SMILES
N#CC(C#N)=Cc1cccs1- InChIKey
VABTYALPMVDJSR-UHFFFAOYSA-N- Molecular formula
- C8H4N2S
- Average molar mass
- 160.2 g/mol
- Monoisotopic mass
- 160.00951931
Names & identifiers
- Preferred name
- 2-(Thiophen-2-yl)malononitrile
- IUPAC
- 2-(thiophen-2-ylmethylidene)propanedinitrile
- English name
- (2-Thienylmethylene)methane-1,1-dicarbonitrile
- Molecular formula
- C8H4N2S
- Molecular weight
- 160.2
Names & synonyms
28162-32-52-ThienylmethylenemalononitrileMALONONITRILE, (2-THIENYLMETHYLENE)-2-(2-thienylmethylene)propanedinitrile2-ThiophenemethylenemalononitrileNSC 5064714UV12O1HY02-(Thiophen-2-yl)malononitrileNSC-506471NSC-659144UNII-4UV12O1HY0DTXSID10182427
Show more names
THDCVAKOS 92447AKOS USSH-4110240RARECHEM AL BX 01772-Thenylidenemalononitrile(2-Thenylidene)malononitrile2-(2-Thenylidene)malononitrile(2-thienylmethylene)-malononitril(thien-2-ylmethylene)malononitrile
MALONONITRILE, (2-THENYLIDENE)-(2-THIENYLMETHYLENE)PROPANEDINITRILETHIOPHENE, 2-(2,2-DICYANOVINYL)-1,1-DICYANO-2-(THIEN-2-YL)ETHENE2-((THIOPHEN-2-YL)METHYLENE)MALONONITRILEPROPANEDINITRILE, 2-(2-THIENYLMETHYLENE)-RefChem:197645DTXCID20104918
Database identifiers
- CAS
28162-32-5- PubChem CID
- 34175
- DTXSID
DTXSID10182427- UNII
- 4UV12O1HY0
- Nikkaji
- J147.661K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 91 °C · 91 °C
- Boiling point
- 308.6 · 308.6±27.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- FDA UNII
- 4 UV12O1HY0 · 4UV12O1HY0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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