1-Hydroxy-6-(methylsulfonyl)indole

C₉H₉NO₃SCAS 170492-47-4211.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO₃S
Molar mass: 211.24 g/mol
Exact mass: 211.0303 Da
logP: 1.28Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

170492-47-4

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C=CN2O

InChIKey

DSXUTUMPWBBNSD-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3

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Names and synonyms

1 names

1-Hydroxy-6-methylsulfonylindole

Work with 1-Hydroxy-6-(methylsulfonyl)indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Difluoro-4-(methylsulfonyl)benzene424792-57-441 % similar 4-(Methylsulfonyl)phenol14763-60-141 % similar 3-(Methylsulfonyl)phenylboronic acid373384-18-040 % similar 2-Amino-4-(methylsulfonyl)phenol98-30-640 % similar Methyl p-tolyl sulfone3185-99-738 % similar p-Tolyl methyl sulfone59203-01-938 % similar 2-Fluoro-4-methylsulfonylphenylboronic acid957060-85-438 % similar 4-(Methylsulfonyl)phenylboronic acid149104-88-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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