Basic information
- CAS
83989-90-6- Standard SMILES
N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2- InChIKey
MTTDRMWFWJDYJL-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.06703418
Names & identifiers
- Preferred name
- 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
- English name
- 4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile
- Molecular formula
- C14H12N2OS
- Molecular weight
- 256.32
Names & synonyms
83989-90-64-(2-furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrileDTXSID20353601RefChem:287215DTXCID303046644-(furan-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrileSMR000104715MLS0001087644-(2-furyl)-2-thioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile4-(furan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Show more names
4-FURAN-2-YL-2-THIOXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBONITRILE3-Quinolinecarbonitrile, 4-(2-furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-
4-(furan-2-yl)-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrileCBMicro_012155Oprea1_525660Oprea1_526057cid_746207CHEMBL1532407SCHEMBL15570369BDBM60401
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Melting point
- 276 · 276-278 °C (decomp)
- Boiling point
- 422.3 · 422.3±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 8.04 · 8.04±0.60(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Applications
Uses4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile is used as a reagent to synthesize condensed puridinethione carbocyclic nucleosides related to 3-deazauridine (D203240). -(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile is also used as a reagent to synthesize condensed pyridine-2(1H)-thione derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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