Basic information
- Standard SMILES
CS(=O)(=O)c1ccc2[nH]c(C(=O)O)cc2c1- InChIKey
OMDMAZNVKWBUDD-UHFFFAOYSA-N- Molecular formula
- C10H9NO4S
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.02522894
Names & identifiers
- Preferred name
- 5-Methanesulfonyl-1H-indole-2-carboxylic acid
- IUPAC
- 5-methylsulfonyl-1H-indole-2-carboxylic acid
- English name
- 5-Methanesulfonyl-1H-indole-2-carboxylic acid
- Molecular formula
- C10H9NO4S
- Molecular weight
- 239.25
Names & synonyms
5-Methanesulfonyl-1H-indole-2-carboxylic acid5-(methylsulfonyl)-1H-indole-2-carboxylic acidRefChem:536527827-040-9367501-41-55-methylsulfonyl-1H-indole-2-carboxylic acidMFCD106882671H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-SCHEMBL2925943SCHEMBL30147570DTXSID80625417OMDMAZNVKWBUDD-UHFFFAOYSA-N
Show more names
SBB099094AKOS015852540AT24395FS-5362SY4016705-(methylsulfonyl)indole-2-carboxylic acidDB-139227CS-0323344
Database identifiers
- CAS
367501-41-5- PubChem CID
- 22394446
- DTXSID
DTXSID80625417- EC Number
- 827-040-9
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- Melting point
- 324 · 324-326°
- form
- solid
- color
- Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Suppliers4 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
5 records
Linked notes
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