2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Basic information
- CAS
102423-74-5- Standard SMILES
COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1- InChIKey
QJOUOBNQMLXGNN-UHFFFAOYSA-N- Molecular formula
- C14H12N4OS
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.07318219
Names & identifiers
- Preferred name
- 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- IUPAC
- 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- English name
- MFCD00428438
- Molecular formula
- C14H12N4OS
- Molecular weight
- 284.34
Names & synonyms
2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile102423-74-5DTXSID30350585RefChem:248133DTXCID70301652664-040-64H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methoxyphenyl)-SCHEMBL15572874QJOUOBNQMLXGNN-UHFFFAOYSA-NMFCD00428438STK747073AKOS001710318
Show more names
A0259/0011728
SB82354ST090356ST4002950CS-0329828SR-01000508047SR-01000508047-12,6-diamino-4-(4-methoxyphenyl)-4H-thiin-3,5-dicarbonitrile2,6-Diamino-4-(4-methoxyphenyl)-4H-thio-pyran-3,5-dicarbonitrile
Database identifiers
- CAS
102423-74-5- PubChem CID
- 683758
- DTXSID
DTXSID30350585- EC Number
- 664-040-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 300 °C · 300 °C(Solv: ethanol (64-17-5))
- Boiling point
- 634.3 · 634.3±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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