2-Amino-4-(methylsulfonyl)phenol

C₇H₉NO₃SCAS 98-30-6187.21 g/mol

Open in Covalent MOL file

Phenol Primary amine Sulfone

Properties

Molecular formula: C₇H₉NO₃S
Molar mass: 187.21 g/mol
Exact mass: 187.0303 Da
Melting point: 153–154 °C
Water solubility: 1–5 g/L (22.2 °C)
logP: 0.38Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

98-30-6

SMILES

CS(=O)(=O)c1ccc(O)c(N)c1

InChIKey

SFLMBHYNCSYPOO-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Phenol, 2-amino-4-(methylsulfonyl)-
4-Methylsulfonyl-2-aminophenol
2-Hydroxy-5-methylsulfonylaniline
3-Amino-4-hydroxyphenyl methyl sulfone
2-Amino-4-(methanesulfonyl)phenol

Work with 2-Amino-4-(methylsulfonyl)phenol

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

ABPS7545-50-866 % similar 2-Aminophenol-4-sulfonamide98-32-862 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-362 % similar 3-Amino-4-hydroxy-N-methylbenzenesulfonamide80-23-959 % similar 3-Amino-N-ethyl-4-hydroxybenzenesulfonamide41606-61-556 % similar 2-Chloro-4-(methylsulfonyl)benzenamine13244-35-456 % similar 3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide hydrochloride85237-56-555 % similar 4-(Methylsulfonyl)phenol14763-60-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzenesulfonamide1129-26-6 5-Amino-2-methylbenzenesulfonic acid118-88-7 4-Pyridineethanesulfonic acid53054-76-5 3-Amino-4-methylbenzenesulfonic acid618-03-1 2-Pyridineethanesulfonic acid68922-18-9 (4-Hydroxy-thiazol-2-yl)acetic acid ethyl ester79878-57-2 2-Amino-5-methylbenzenesulfonic acid88-44-8 4-Amino-3-methylbenzenesulfonic acid98-33-9

Elsewhere

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