Ethyl naphtho[1,2-b]thiophene-2-carboxylate

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Basic information

CAS: 51925-17-8
Standard SMILES: CCOC(=O)c1cc2ccc3ccccc3c2s1
InChIKey: RNHHICBDWVELEF-UHFFFAOYSA-N
Molecular formula: C15H12O2S
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.05580079

Names & identifiers

Preferred name: Ethyl naphtho[1,2-b]thiophene-2-carboxylate
IUPAC: ethyl benzo[g][1]benzothiole-2-carboxylate
English name: ethyl naphtho[2,3-b]thiophene-2-carboxylate
Molecular formula: C15H12O2S
Molecular weight: 256.32

Names & synonyms

ethyl naphtho[1,2-b]thiophene-2-carboxylate51925-17-8ethyl benzo[g][1]benzothiole-2-carboxylateCHEMBL2219649SCHEMBL30020347BDBM76378cid_9549107DTXSID20351263MFCD00206868CCG-249820SY372378ethylnaphtho[1,2-b]thiophene-2-carboxylate

Show more names

ethyl naphtho[2,3-b]thiophene-2-carboxylateNaphtho[1,2-b]thiophene-2-carboxylic acid, ethyl ester

AA-516/25012033AA-516/30011053AA-516/31408001ethyl benzo[g][1]benzothiole-2-carboxylate;hexanedioic acid2-benzo[g][1]benzothiolecarboxylic acid ethyl ester;hexanedioic acidadipic acid;benzo[g]benzothiophene-2-carboxylic acid ethyl ester

Database identifiers

CAS: 51925-17-8
PubChem CID: 695058
DTXSID: DTXSID20351263
ChEMBL: CHEMBL2219649

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 318

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-Chloro-3,4-dihydro-2-naphthalenecarbaldehyde 4,5-Dihydro-2-(ethoxycarbonyl)naptho(1,2-b)thiopene

Downstream products

1,1-Dioxo-2-(chloromethyl)naphtho[1,2-b]thiophene 4,5-Dihydro-2-(ethoxycarbonyl)naptho(1,2-b)thiopene

Related reactions

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Compound notes

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