3,5-diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Basic information
- CAS
142465-09-6- Standard SMILES
O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1-c1ccccc1- InChIKey
JWFKCKHXCWRVDN-UHFFFAOYSA-N- Molecular formula
- C18H12N2OS2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.03910536
Names & identifiers
- Preferred name
- 3,5-diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 3,5-diphenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
- English name
- 3,5-DIPHENYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
- Molecular formula
- C18H12N2OS2
- Molecular weight
- 336.43
Names & synonyms
142465-09-63,5-diphenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one3,5-diphenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one2-mercapto-3,5-diphenylthieno[2,3-d]pyrimidin-4(3H)-oneThieno[2,3-d]pyrimidin-4(1H)-one,2,3-dihydro-3,5-diphenyl-2-thioxo-3,5-diphenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one3,5-diphenyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one3,5-Diphenyl-2-sulfanylidene-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one3,5-DIPHENYL-2-THIOXO-2,3-DIHYDROTHIENO(2,3-D)PYRIMIDIN-4(1H)-ONEOprea1_449513SCHEMBL6034875DTXSID10353973
Show more names
THIENO[2,3-D]PYRIMIDIN-4(1H)-ONE, 2,3-DIHYDRO-3,5-DIPHENYL-2-THIOXO-
STL147848AKOS000121994AKOS001032020ST50052162EN300-02999AH-034/08305063SR-01000438680SR-01000438680-1
Database identifiers
- CAS
142465-09-6- PubChem CID
- 760034
- DTXSID
DTXSID10353973- EC Number
- 691-944-8
- Nikkaji
- J359.405J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 275 · 275-277℃
- Boiling point
- 510.9 · 510.9±52.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 10.52 · 10.52±0.20(Predicted)
- CAS DataBase Reference
- 142465 · 142465-09-6
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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