Basic information
- CAS
302904-14-9- Standard SMILES
COc1cccc(C2C(C#N)=C(N)SC(N)=C2C#N)c1- InChIKey
CQDHSRVZYTXLFP-UHFFFAOYSA-N- Molecular formula
- C14H12N4OS
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.07318219
Names & identifiers
- Preferred name
- 2,6-Diamino-4-(3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- IUPAC
- 2,6-diamino-4-(3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- English name
- 2,6-diamino-4-(3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- Molecular formula
- C14H12N4OS
- Molecular weight
- 284.33628
Names & synonyms
2,6-diamino-4-(3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile302904-14-9RefChem:445288664-038-5CBMicro_016412Cambridge id 5278280Oprea1_064211Oprea1_814977CCG-5389STL109849AKOS000676680ST070322
Show more names
BIM-0016406.P001AB00078825-01AG-205/08688026SR-01000511122SR-01000511122-12,6-diamino-4-(3-methoxyphenyl)-4H-thiin-3,5-dicarbonitrile
Database identifiers
- CAS
302904-14-9- PubChem CID
- 791502
- EC Number
- 664-038-5
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
- 524
Physicochemical properties
- 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 39 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
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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