Basic information
- CAS
143141-23-5- Standard SMILES
O=S(=O)(c1ccccc1)n1ccc2cccnc21- InChIKey
KEPQQULYWDIKEK-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629856
Names & identifiers
- Preferred name
- 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 1-(phenylsulfonyl)-
- Molecular formula
- C13H10N2O2S
- Molecular weight
- 258.3
Names & synonyms
143141-23-51-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine1-(Phenylsulfonyl)-7-azaindole1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine1H-PYRROLO[2,3-B]PYRIDINE, 1-(PHENYLSULFONYL)-MFCD02083292N-BENZENESULFONYL-7-AZAINDOLE1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridineN-Phenylsulfonyl-7-azaindoleMLS000539720Bionet2_000473
Show more names
1-(Phenylsulphonyl)-7-azaindole
1H-Pyrrolo[2,3-b]pyridine,1-(phenylsulfonyl)-Oprea1_6682121-phenylsulfonyl-7-azaindoleSCHEMBL1773294SCHEMBL2567082CHEMBL1465782SCHEMBL276467381-(benzenesulfonyl)-7-azaindole
Database identifiers
- CAS
143141-23-5- PubChem CID
- 852078
- DTXSID
DTXSID20357361- ChEMBL
CHEMBL1465782- Nikkaji
- J3.465.466B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Boiling point
- 465.8 · 465.8±37.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 1.38 · 1.38±0.30(Predicted)
- Appearance
- brown solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers55 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
36 records
Compound notes
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