(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one

C6H8O3S — CID 10702102

IUPAC(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
SMILESO=C1C[C@@H]2SC[C@H](O)[C@@H]2O1
InChIInChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4-,6-/m0/s1
InChIKeyFNZBQNPNBNPDHK-FKZODXBYSA-N
MW160.19 g/mol
LogP-0.22
Rot. Bonds

About (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one

(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one (PubChem CID 10702102) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
PubChem CID10702102
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
SMILESO=C1C[C@@H]2SC[C@H](O)[C@@H]2O1
InChIInChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4-,6-/m0/s1
InChIKeyFNZBQNPNBNPDHK-FKZODXBYSA-N
XLogP-0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one with MolForge

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Related Compounds

(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
CID 71505779
(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 130757545
7-hydroxy-3,3a,7,7a-tetrahydro-1-benzofuran-2,6-dione
CID 143612632
(4R)-4-ethyloxetan-2-one
CID 14325240
(1S,2R,4S,6S,7E,12S,16S)-4-hydroxy-12-methyl-13,20-dioxa-17-thiatricyclo[14.4.0.02,6]icos-7-ene-14,19-dione
CID 10522100
4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 130149623
6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 85416030
(3aS,5R,6R,6aR)-6-hydroxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 132544569
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
CID 134859484
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 10464494
6-ethyl-4-hydroxyoxan-2-one
CID 20679563

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The IUPAC name of (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one (CID 10702102) is (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one.
What is the SMILES notation for (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The canonical SMILES for (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one is O=C1C[C@@H]2SC[C@H](O)[C@@H]2O1.
What is the InChIKey of (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The InChIKey is FNZBQNPNBNPDHK-FKZODXBYSA-N. The full InChI is InChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4-,6-/m0/s1.
What are the key properties of (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one has a molecular weight of 160.19 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one is sourced from PubChem (CID 10702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).