2-Thiophenecarboxamide

C₅H₅NOSCAS 5813-89-8127.16 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₅H₅NOS
Molar mass: 127.16 g/mol
Exact mass: 127.0092 Da
Melting point: 181–183 °C
logP: 0.85Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation20% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5813-89-8

SMILES

NC(=O)c1cccs1

InChIKey

DENPQNAWGQXKCU-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NOS/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)

Weigh it out

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

Names and synonyms

3 names

2-Thenamide
2-(Aminocarbonyl)thiophene
NSC 109369

Work with 2-Thiophenecarboxamide

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-Thienyl ketone704-38-158 % similar 2,2'-Thenil7333-07-558 % similar 2-Thiophenecarbothioamide20300-02-152 % similar Thiophene-2-carboxylic anhydride25569-97-552 % similar Thiophene-2-carboxylic acid527-72-052 % similar 2-Thiophenecarbonyl chloride5271-67-052 % similar 2-Acetylthiophene88-15-352 % similar 2,2-Dimethyl-1-(thiophen-2-yl)propan-1-one20409-48-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylthiazole-5-carbaldehyde1003-60-7 2-Mercaptopyridine N-oxide1121-31-9 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-0 4-Cyano-3-tetrahydrothiophenone16563-14-7 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-2 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 4-Methylthiazole-5-carboxaldehyde82294-70-0

Elsewhere

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