Basic information
- CAS
100107-43-5- Standard SMILES
NS(=O)(=O)c1nccc2ccccc12- InChIKey
GZZCYMXZJQCAJU-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- Isoquinoline-1-sulfonamide
- IUPAC
- isoquinoline-1-sulfonamide
Names & synonyms
Isoquinoline-1-sulfonamide1026410-00-3RefChem:792307848-282-1Isoquinolinesulfonamide100107-43-5SCHEMBL169719SCHEMBL5610261SCHEMBL27582889SCHEMBL29482553DTXSID80435654AKOS020865238
Show more names
EBC-606382EN300-281767
Database identifiers
- CAS
100107-43-5、1026410-00-3- PubChem CID
- 10104496
- DTXSID
DTXSID80435654- EC Number
- 848-282-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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