2,2'-Thenoin

C₁₀H₈O₂S₂CAS 27761-02-0224.29 g/mol

Open in Covalent MOL file

Alcohol Ketone

Properties

Molecular formula: C₁₀H₈O₂S₂
Molar mass: 224.29 g/mol
Exact mass: 223.9966 Da
logP: 2.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27761-02-0

SMILES

C1=CSC(=C1)C(C(=O)C2=CC=CS2)O

InChIKey

OGWZIOZTPNLTCR-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

Weigh it out

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

Names and synonyms

1 names

2-Hydroxy-1,2-di(thiophen-2-yl)ethan-1-one

Work with 2,2'-Thenoin

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

Cyclopropyl-2-thienylmethanone6193-47-154 % similar Thiophene-2-carboxylic acid527-72-046 % similar 2-Thienyl ketone704-38-145 % similar 2,2'-Thenil7333-07-545 % similar α-Amino-2-thiopheneacetic acid21124-40-343 % similar (S)-2-Thienylglycine43189-45-343 % similar 2,2-Dimethyl-1-(thiophen-2-yl)propan-1-one20409-48-742 % similar 2-Thiopheneglyoxylic acid4075-59-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Benzenesulfonylthiophene16718-05-1 2-Benzenesulfonylthiophene22407-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook