Sodium 2-thenoate

HCID 23672340CAS 25112-68-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C([O-])c1cccs1.[Na+]
InChIKey: LKYIPGJOXSVWPX-UHFFFAOYSA-M
Molecular formula: C5H3NaO2S
Average molar mass: 150.13 g/mol
Monoisotopic mass: 149.97514462

Names & identifiers

Preferred name: Sodium 2-thenoate
IUPAC: sodium thiophene-2-carboxylate

Names & synonyms

Sodium 2-thenoate2-Thiophenecarboxylic acid, sodium salt (1:1)RefChem:886936sodium thiophene-2-carboxylate25112-68-9sodium 2-thiophenecarboxylate2-Thiophenecarboxylic acid sodium saltsodium;thiophene-2-carboxylateMFCD00064334BP5T68675U7028-03-7C5H3NaO2S

Show more names

sodium,thiophene-2-carboxylateUNII-BP5T68675Usodium thiofuroateEINECS 246-628-0THENOATE SODIUMSodium thio-2-thenoatesodiumthiophene-2-carboxylateSCHEMBL1844553

Database identifiers

CAS: 25112-68-9、7028-03-7
PubChem CID: 23672340
DTXSID: DTXSID00179801
UNII: BP5T68675U
EC Number: 230-308-2、246-628-0
Nikkaji: J25.350B

Properties

Computed structural properties

Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 107

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.