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1003-10-7,MFCD00005479
Catalog No.:AA0001F1
1003-10-7 | 2(3H)-Thiophenone, dihydro-
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Technical Information
Catalog Number:
AA0001F1
Chemical Name:
2(3H)-Thiophenone, dihydro-
CAS Number:
1003-10-7
Molecular Formula:
C4H6OS
Molecular Weight:
102.1548
MDL Number:
MFCD00005479
IUPAC Name:
thiolan-2-one
InChI:
InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
InChI Key:
KMSNYNIWEORQDJ-UHFFFAOYSA-N
SMILES:
O=C1CCCS1
EC Number:
213-700-8
UNII:
A3ERZ734SN
NSC Number:
54087
FEMA Number:
4570
Properties
Computed Properties
 
Complexity:
69.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.014g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.151g/mol
Monoisotopic Mass:
102.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
dihydro-2(3H)-thiophenone 
gamma-thiobutyrolactone 
Thiacyclopentan-2-one 
Tetrahydro-2-thiophenone 
2-THIOPHENONE, TETRAHYDRO- 
UNII-A3ERZ734SN 
NSC 54087 
Thiacyclopentanone-2 
.gamma.-Thiobutyrolactone 
EINECS 213-700-8 
dihydrothiophen-2(3H)-one 
BRN 0105273 
4-Butyrothiolactone 
A3ERZ734SN 
Dihydro-2-(3H)-thiophenone 
CHEBI:89059 
KMSNYNIWEORQDJ-UHFFFAOYSA-N 
thiolanone 
2-Thiolanone 
2-oxotetrahydrothiophene 
AC1L22MB 
SCHEMBL13480 
5-17-09-00012 (Beilstein Handbook Reference) 
Thiolan-2-one 
CHEMBL56395 
gamma-Thiobutyrolactone, 98% 
SCHEMBL3630088 
DTXSID3061390 
CTK8G3997 
KMSNYNIWEORQDJ-UHFFFAOYSA- 
laquo gammaRaquo -thiobutyrolactone 
NSC54087 
ZINC4501380 
MFCD00005479 
1003-10-7 
NSC-54087 
4-Mercaptobutanoic acid g-thiolactone 
AKOS028108379 
LS-153236 
FT-0633226 
J-000094 
InChI=1/C4H6OS/c5-4-2-1-3-6-4/h1-3H2 
g-thiobutyrolactone 
?-Thiobutyrolactone 
|A-thiobutyrolactone 
gamma-Thiobutyrolactone 
THIOBUTYROLACTONE 
C4H6OS 
4,5-Dihydro-3(2H)-thiophenone 
C4-H6-O-S 
CID13852 
ACN-053718 
2(3H)-Thiophenone, dihydro- 
Dihydro-2(3H)-thiophenone 
2-Oxothiolane 
4-Thiobutyrolactone 
Literature

Title: Decreased paraoxonase 1 (PON1) lactonase activity in hemodialyzed and renal transplanted patients. A novel cardiovascular biomarker in end-stage renal disease.

Journal: Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association 20120701

Title: The use of superporous Ac-CGGASIKVAVS-OH-modified PHEMA scaffolds to promote cell adhesion and the differentiation of human fetal neural precursors.

Journal: Biomaterials 20100801

Title: An improved synthesis of the selective EP4 receptor agonist ONO-4819.

Journal: The Journal of organic chemistry 20091106

Title: Relations of lysophosphatidylcholine in low-density lipoprotein with serum lipoprotein-associated phospholipase A2, paraoxonase and homocysteine thiolactonase activities in patients with type 2 diabetes mellitus.

Journal: Diabetes research and clinical practice 20091101

Title: Synthesis of C60-fused tetrahydrothiophene derivatives via nucleophilic cycloaddition of thiocyanates.

Journal: Organic & biomolecular chemistry 20080821

Title: Mechanism of hydrolysis and aminolysis of homocysteine thiolactone.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20060515

Title: Tiny droplets make a big splash.

Journal: Nature methods 20060201

Title: Modification of cellulose fiber surfaces by use of a lipase and a xyloglucan endotransglycosylase.

Journal: Biomacromolecules 20050101

Title: Catalytic synthesis of thiobutyrolactones via CO insertion into the C-S bond of thietanes in the presence of a heterodinuclear organoplatinum-cobalt complex.

Journal: Chemical communications (Cambridge, England) 20030821

Title: Design of inhibitors of scytalone dehydratase: probing interactions with an asparagine carboxamide.

Journal: Bioorganic & medicinal chemistry 20021201

Title: Thiolated dermal bovine collagen as a novel support for bioactive substances--conjugation with lysozyme.

Journal: Journal of biotechnology 20010309

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