2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol
Basic information
- CAS
618069-71-9- Standard SMILES
Sc1ccccc1C1=CCCN1- InChIKey
HMWZARBFLWKQFG-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122053
Names & identifiers
- Preferred name
- 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol
- IUPAC
- 2-(2,3-dihydro-1H-pyrrol-5-yl)benzenethiol
Names & synonyms
2-(4,5-dihydro-1H-pyrrol-2-yl)benzenethiol618069-71-9RefChem:456013632-694-1SCHEMBL12997917AKOS006278952
Database identifiers
- CAS
618069-71-9- PubChem CID
- 4153797
- EC Number
- 632-694-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
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 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%)
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Related reactions
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Compound notes
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