Methyl 5-Formylthiophene-3-carboxylate - CAS 67808-66-6

Catalog:	BB033402
Product Name:	Methyl 5-Formylthiophene-3-carboxylate
CAS:	67808-66-6
Synonyms:	5-formyl-3-thiophenecarboxylic acid methyl ester; methyl 5-formylthiophene-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-formylthiophene-3-carboxylate
Description:	Methyl 5-Formylthiophene-3-carboxylate (CAS# 67808-66-6) is a useful research chemical.
Molecular Weight:	170.19
Molecular Formula:	C7H6O3S
Canonical SMILES:	COC(=O)C1=CSC(=C1)C=O
InChI:	InChI=1S/C7H6O3S/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3
InChI Key:	GNXNZRYWBFMVHK-UHFFFAOYSA-N
Boiling Point:	296 °C at 760 mmHg
Density:	1.327 g/cm³
MDL:	MFCD01859945
LogP:	1.34720

Publication Number	Title	Priority Date
CA-3085255-A1	Eif4e-inhibiting compounds and methods	20190702
WO-2021003157-A1	Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds	20190702
WO-2020178316-A1	5- or 7-azaindazoles as beta-lactamase inhibitors	20190305
EP-3558285-A1	Heterocyclic compounds as hiv protease inhibitors	20161222
EP-3558305-A1	Heterocyclic compounds as hiv protease inhibitors	20161222

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.00376522
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.00376522
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3