Thieno(3,2-b)thiophene

C₆H₄S₂CAS 251-41-2140.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄S₂
Molar mass: 140.22 g/mol
Exact mass: 139.9754 Da
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

251-41-2

SMILES

C1=CSC2=C1SC=C2

InChIKey

VJYJJHQEVLEOFL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H

Weigh it out

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

Names and synonyms

1 names

Thieno[3,2-B]thiophene

Work with Thieno(3,2-b)thiophene

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

Benzo[1,2-B:4,5-B']dithiophene267-65-253 % similar Benzothiophene95-15-847 % similar 3-Bromothieno(3,2-b)thiophene25121-83-939 % similar 4-Bromobenzo[b]thiophene5118-13-839 % similar 4-Chlorobenzo[b]thiophene66490-33-339 % similar 5-Methylbenzo[b]thiophene14315-14-138 % similar 6-Bromobenzo[b]thiophene17347-32-938 % similar Benzo(b)thiophen-5-amine20532-28-938 % similar

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

Elsewhere

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