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

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Thiophenes

[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[91076-94-7]
Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
[91077-00-8]
Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate
[1018163-48-8]
Ethyl 5-(2-methylpropyl)thiophene-2-carboxylate
[828279-28-3]
Ethyl 7-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
[627058-15-5]
Isopropyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-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