2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol

C₇H₈O₃SCAS 146796-02-3172.20 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₇H₈O₃S
Molar mass: 172.20 g/mol
Exact mass: 172.0194 Da
logP: 0.88Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146796-02-3

SMILES

C1C(OC2=CSC=C2O1)CO

InChIKey

YFCHAINVYLQVBG-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O3S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5,8H,1-2H2

Weigh it out

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

Names and synonyms

1 names

Hydroxymethyl edot

Work with 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol

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

2,3-Dihydro-1,4-benzodioxin-2-methanol3663-82-965 % similar 3,4-Ethylenedioxythiophene126213-50-141 % similar 2-Bromomethyl-1,4-benzodioxane2164-34-338 % similar 2-Aminomethyl-1,4-benzodioxane4442-59-538 % similar Glycidol556-52-533 % similar (+)-Glycidol57044-25-433 % similar (-)-Glycidol60456-23-733 % similar (±)-Mephenesin59-47-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Toluenesulfonic acid104-15-4 4-(Methylsulfonyl)phenol14763-60-1 Phenyl methanesulfonate16156-59-5 Methyl 3-methoxythiophene-2-carboxylate62353-75-7 Methyl benzenesulfonate80-18-2

Elsewhere

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