4,5-Dihydro-3(2H)-thiophenone - CAS 1003-04-9

Catalog:	BB000164
Product Name:	4,5-Dihydro-3(2H)-thiophenone
CAS:	1003-04-9
Synonyms:	thiolan-3-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	thiolan-3-one
Description:	4,5-Dihydro-3(2H)-thiophenone (CAS# 1003-04-9) is a useful research chemical.
Molecular Weight:	102.15
Molecular Formula:	C4H6OS
Canonical SMILES:	C1CSCC1=O
InChI:	InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChI Key:	DSXFPRKPFJRPIB-UHFFFAOYSA-N
Boiling Point:	175 °C
Density:	1.194 g/cm³
Solubility:	1.924e+005 mg/L at 25 °C (est)
Appearance:	Liquid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00005412
LogP:	0.69240

Publication Number	Title	Priority Date
JP-2021046434-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054833-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054834-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
CN-112321440-A	Amino phenyl ketone compound and preparation method and application thereof	20200930
CN-112321440-B	Amino phenyl ketone compound and preparation method and application thereof	20200930

PMID	Publication Date	Title	Journal
17226866	20070101	Stereoselective biocatalytic synthesis of (S)-2-hydroxy-2-methylbutyric acid via substrate engineering by using 'thio-disguised' precursors and oxynitrilase catalysis	Chemistry (Weinheim an der Bergstrasse, Germany)
16971130	20061215	Structure-activity studies of cyclic ketone inhibitors of the serine protease plasmin: design, synthesis, and biological activity	Bioorganic & medicinal chemistry
15691743	20050201	Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts	FEMS yeast research
12475289	20021218	A model system study of the inhibition of heterocyclic aromatic amine formation by organosulfur compounds	Journal of agricultural and food chemistry
11485452	20010810	Carbanion-induced base-catalyzed synthesis of 1H-isothiochromenes, benzo[c]thiochromenes through ring-transformation reactions of 6-aryl-2H-pyran-2-ones	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Thiophenes

[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
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate

GHS Hazard Statement:	H302 (93.54%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	69.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.01393598
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	102.01393598
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4