Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate

HCID 22397191

Notes Reactions

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Basic information

CAS: 246177-37-7
Standard SMILES: COC(=O)c1ccc2sccc2c1O
InChIKey: RAWQGMFTJYIMMQ-UHFFFAOYSA-N
Molecular formula: C10H8O3S
Average molar mass: 208.24 g/mol
Monoisotopic mass: 208.01941529

Names & identifiers

Preferred name: Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate
IUPAC: methyl 4-hydroxy-1-benzothiophene-5-carboxylate
English name: Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate
Molecular formula: C10H8O3S
Molecular weight: 208.23

Names & synonyms

246177-37-7Methyl 4-hydroxybenzo[b]thiophene-5-carboxylateMethyl 4-hydroxy-1-benzothiophene-5-carboxylateMFCD14584668SCHEMBL6283230DTXSID60625450EX-A599RAWQGMFTJYIMMQ-UHFFFAOYSA-NAKOS027255873SB67113AS-67438SY126327

Show more names

Methyl 4-hydroxybenzo thiophene-5-carboxylateMethyl 4-Hydroxybenzo[B]Thiophene-5-Carboxylate(WXC02071)4-hydroxy-Benzo[b]thiophene-5-carboxylic acid methyl esterBenzo[b]thiophene-5-carboxylic acid, 4-hydroxy-, methyl ester

DB-025150CS-0028589methyl 4-hydroxybenzothiophene-5-carboxylateMethyl4-hydroxybenzo[b]thiophene-5-carboxylateW11411

Database identifiers

CAS: 246177-37-7
PubChem CID: 22397191
DTXSID: DTXSID60625450

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 231

Physicochemical properties

Melting point: 98 · 98-99 °C
Boiling point: 332.3 · 332.3±22.0 °C(Predicted)
Density: 1.394 · 1.394±0.06 g/cm3(Predicted)
pka: 7.44 · 7.44±0.50(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3-Furancarboxylic acid, 5-ethoxy-4,5-dihydro-2-(2-thienyl)-, methyl ester Methyl 4-Oxo-4,5,6,7-Tetrahydrobenzo[B]Thiophene-5-Carboxylate

Suppliers20 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]

Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]

郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]

Related reactions

5 records

New reaction record

HRID 411194 reaction equation

HRID 411194As productuspto-grants-2003_05

HRID 411195 reaction equation

HRID 411195As reactantuspto-grants-2003_05

HRID 1070610 reaction equation

HRID 1070610As productuspto-grants-2005_06

HRID 1070611 reaction equation

HRID 1070611As reactantuspto-grants-2005_06

HRID 2156793 reaction equation

HRID 2156793As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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