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1003-04-9 | 3(2H)-Thiophenone, dihydro-
CAS No: 1003-04-9 Catalog No: AG0001HW MDL No:MFCD00005412
Product Description
Catalog Number:
AG0001HW
Chemical Name:
3(2H)-Thiophenone, dihydro-
CAS Number:
1003-04-9
Molecular Formula:
C4H6OS
Molecular Weight:
102.1548
MDL Number:
MFCD00005412
IUPAC Name:
thiolan-3-one
InChI:
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChI Key:
DSXFPRKPFJRPIB-UHFFFAOYSA-N
SMILES:
O=C1CSCC1
EC Number:
213-698-9
UNII:
0E9MKH53DV
NSC Number:
241151
FEMA Number:
3266
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:
0.4
Literature
| Title | Journal |
|---|---|
| Structure-activity studies of cyclic ketone inhibitors of the serine protease plasmin: design, synthesis, and biological activity. | Bioorganic & medicinal chemistry 20061215 |
| Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts. | FEMS yeast research 20050201 |
| A model system study of the inhibition of heterocyclic aromatic amine formation by organosulfur compounds. | Journal of agricultural and food chemistry 20021218 |
| 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 20010810 |
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