Basic information
- CAS
476480-86-1- Standard SMILES
CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12- InChIKey
QFQCDHWRQLKZPD-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.16199719
Names & identifiers
- Preferred name
- 8-(Butylthio)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-butylsulfanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
- English name
- SALOR-INT L215198-1EA
- Molecular formula
- C22H24N4O2S
- Molecular weight
- 408.52
Names & synonyms
476480-86-18-(BUTYLTHIO)-1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONERefChem:547463631-651-48-(Butylthio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione8-(butylsulfanyl)-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSTL005778AKOS0220894128-(butylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dioneSALOR-INT L215198-1EA1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-1,3-dimethyl-7-(1-naphthalenylmethyl)-
Database identifiers
- CAS
476480-86-1- PubChem CID
- 3972298
- EC Number
- 631-651-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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