Thieno(3,2-b)thiophene-2-carboxylic acid

C₇H₄O₂S₂CAS 1723-27-9184.23 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₄O₂S₂
Molar mass: 184.23 g/mol
Exact mass: 183.9653 Da
logP: 2.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1723-27-9

SMILES

C1=CSC2=C1SC(=C2)C(=O)O

InChIKey

GVZXSZWCZGKLRS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

Thieno[3,2-B]thiophene-2-carboxylic acid

Work with Thieno(3,2-b)thiophene-2-carboxylic acid

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

Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxylic acid502764-53-656 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-954 % similar 2,5-Thiophenedicarboxylic acid4282-31-950 % similar 6-Bromobenzo[b]thiophene-2-carboxylic acid19075-58-249 % similar 4-Bromo-benzo[B]thiophene-2-carboxylic acid5194-37-649 % similar 5-Fluorobenzo[b]thiophene-2-carboxylic acid70060-13-849 % similar Thiophene-2-carboxylic acid527-72-048 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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