1-(5-Methyl-2-thienyl)propan-1-one - CAS 59303-13-8

Catalog:	BB030334
Product Name:	1-(5-Methyl-2-thienyl)propan-1-one
CAS:	59303-13-8
Synonyms:	1-(5-methylthiophen-2-yl)propan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(5-methylthiophen-2-yl)propan-1-one
Description:	1-(5-Methyl-2-thienyl)propan-1-one (CAS# 59303-13-8) is a useful research chemical.
Molecular Weight:	154.23
Molecular Formula:	C8H10OS
Canonical SMILES:	CCC(=O)C1=CC=C(S1)C
InChI:	InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
InChI Key:	ROPOMQPSWIOWSN-UHFFFAOYSA-N
Boiling Point:	251.1 °C at 760 mmHg
Melting Point:	31 °C
Purity:	95 %
Density:	1.076 g/cm³
Appearance:	Solid
MDL:	MFCD00053143
LogP:	2.64920

Publication Number	Title	Priority Date
US-2020061037-A1	Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease	20170621
US-11000515-B2	Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease	20170621
EP-3271334-A1	Substituted n-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof	20150318
JP-2018512404-A	Substituted N-bicyclo-2-aryl-quinoline-4-carboxamide and uses thereof	20150318
US-10117864-B2	Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof	20150318

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Related Functional Groups

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04523611
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.04523611
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5