4-(2,5-Dimethyl-1-pyrrolyl)phenyl sulfide
Basic information
- CAS
74380-20-4- Standard SMILES
Cc1ccc(C)n1-c1ccc(Sc2ccccc2)cc1- InChIKey
AFROKHZQFBSHRU-UHFFFAOYSA-N- Molecular formula
- C18H17NS
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.10817072
Names & identifiers
- Preferred name
- 4-(2,5-Dimethyl-1-pyrrolyl)phenyl sulfide
- IUPAC
- 2,5-dimethyl-1-(4-phenylsulfanylphenyl)pyrrole
- English name
- 4-(2,5-Dimethyl-1-pyrrolyl)phenyl sulfide
- Molecular formula
- C18H17NS
- Molecular weight
- 279.4
Names & synonyms
74380-20-44-(2,5-DIMETHYL-1-PYRROLYL)PHENYL SULFIDERefChem:510777660-729-02,5-Dimethyl-1-(4-(phenylthio)phenyl)-1H-pyrroleAKOS0243387111H-Pyrrole, 2,5-dimethyl-1-[4-(phenylthio)phenyl]-
Database identifiers
- CAS
74380-20-4- PubChem CID
- 3603282
- EC Number
- 660-729-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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