Thiophene-2-carboxylic anhydride

C10H6O3S2CAS 25569-97-5238.27 g/mol

Open in Covalent MOL file
SOOOS
Acid anhydride

Properties

Molecular formula
C10H6O3S2
Molar mass
238.27 g/mol
Exact mass
237.9758 Da
logP
2.81Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
25569-97-5
SMILES
C1=CSC(=C1)C(=O)OC(=O)C2=CC=CS2
InChIKey
BKBCDDYQJQGMNX-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H

Weigh it out

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Work with Thiophene-2-carboxylic anhydride

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

Methyl thenoate5380-42-768 % similar Ethyl 2-thiophenecarboxylate2810-04-063 % similar 2-Thienyl ketone704-38-158 % similar 2,2'-Thenil7333-07-558 % similar Thiophene-2-carboxylic acid527-72-052 % similar 2-Thiophenecarbonyl chloride5271-67-052 % similar 2-Thiophenecarboxamide5813-89-852 % similar 2-Acetylthiophene88-15-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook