(2S)-2-thiophen-2-yl-2H-furan-5-one

C8H6O2S — CID 70684647

IUPAC(2S)-2-thiophen-2-yl-2H-furan-5-one
SMILESO=C1C=C[C@@H](c2cccs2)O1
InChIInChI=1S/C8H6O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-6H/t6-/m0/s1
InChIKeyFAMSNKDTGORBOK-LURJTMIESA-N
MW166.20 g/mol
LogP1.90
Rot. Bonds1

About (2S)-2-thiophen-2-yl-2H-furan-5-one

(2S)-2-thiophen-2-yl-2H-furan-5-one (PubChem CID 70684647) has the molecular formula C8H6O2S and a molecular weight of 166.20 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-2H-furan-5-one
PubChem CID70684647
Molecular FormulaC8H6O2S
Molecular Weight166.20 g/mol
Exact Mass166.01
IUPAC Name(2S)-2-thiophen-2-yl-2H-furan-5-one
SMILESO=C1C=C[C@@H](c2cccs2)O1
InChIInChI=1S/C8H6O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-6H/t6-/m0/s1
InChIKeyFAMSNKDTGORBOK-LURJTMIESA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl thenoate
CID 79340
Ethyl 2-thenoate
CID 76052
Thiophene-2-carboxylic anhydride
CID 3680768
Butyl 2-thenoate
CID 91997
Icosa-5,8,11,14-tetraenoic acid thiophen-2-ylmethyl ester
CID 10294441
2-Thiophenecarboxylic acid, propyl ester
CID 573763
2-Thiophen-2-yl-2,3-dihydropyran-6-one
CID 56665230
(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70682562
5-Methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70682563
(2R)-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70684646
(2S)-4-methyl-2-thiophen-2-yl-2H-furan-5-one
CID 70686795
(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70688874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of (2S)-2-thiophen-2-yl-2H-furan-5-one (CID 70684647) is (2S)-2-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for (2S)-2-thiophen-2-yl-2H-furan-5-one is O=C1C=C[C@@H](c2cccs2)O1.
What is the InChIKey of (2S)-2-thiophen-2-yl-2H-furan-5-one?
The InChIKey is FAMSNKDTGORBOK-LURJTMIESA-N. The full InChI is InChI=1S/C8H6O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-6H/t6-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-2H-furan-5-one?
(2S)-2-thiophen-2-yl-2H-furan-5-one has a molecular weight of 166.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 70684647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).