Basic information
- Standard SMILES
CS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1- InChIKey
AFEUOABSCCVYMF-UHFFFAOYSA-N- Molecular formula
- C10H9NO4S
- Average molar mass
- 239.25 g/mol
Names & identifiers
- Preferred name
- 5-Methanesulfonyl-1H-indole-3-carboxylic acid
- IUPAC
- 5-methylsulfonyl-1H-indole-3-carboxylic acid
- English name
- 5-(methylsulfonyl)-1H-indole-3-carboxylic acid
- Molecular formula
- C10H9NO4S
- Molecular weight
- 239.25
Names & synonyms
5-Methanesulfonyl-1H-indole-3-carboxylic acid1554072-83-1MFCD267644415-methylsulfonyl-1H-indole-3-carboxylic acidSCHEMBL236122255-(Methylsulfonyl)-1H-indole-3-carboxylic AcidPB40859BS-431965-Methanesulfonyl-1H-indole-3-carboxylicacidCS-0055925P18265SY321736
Show more names
1H-Indole-3-carboxylic acid, 5-(methylsulfonyl)-
F609534
Database identifiers
- CAS
1554072-83-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 602.2 · 602.2±48.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.30(Predicted)
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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