(Thian-4-ylidene)propanedinitrile
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Basic information
- CAS
62702-80-1- Standard SMILES
N#CC(C#N)=C1CCSCC1- InChIKey
FGZVXGMAJUXLLJ-UHFFFAOYSA-N- Molecular formula
- C8H8N2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.04081944
Names & identifiers
- Preferred name
- (Thian-4-ylidene)propanedinitrile
- IUPAC
- 2-(thian-4-ylidene)propanedinitrile
- English name
- 2-(2H-Thiopyran-4(3H,5H,6H)-ylidene)malononitrile
- Molecular formula
- C8H8N2S
- Molecular weight
- 164.23
Names & synonyms
62702-80-1(Thian-4-ylidene)propanedinitrileDTXSID10697420RefChem:211225DTXCID606481692-(Dihydro-2H-thiopyran-4(3H)-ylidene)malononitrile2-(2H-THIOPYRAN-4(3H,5H,6H)-YLIDENE)MALONONITRILE2-(THIAN-4-YLIDENE)PROPANEDINITRILE2-(tetrahydro-4H-thiopyran-4-ylidene)malononitrileAKOS015856743DB-0731752-(tetrahydrothiopyran-4-ylidene) malononitrile
Show more names
(Tetrahydro-4H-thiopyran-4-ylidene)propanedinitrile2-(tetrahydro-4H-thiopyran-4-ylidene)PropanedinitrilePropanedinitrile, 2-(tetrahydro-4H-thiopyran-4-ylidene)-
Database identifiers
- CAS
62702-80-1- PubChem CID
- 53418403
- DTXSID
DTXSID10697420- Nikkaji
- J1.251.472G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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