3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran

C7H12OS — CID 118210349

IUPAC3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
SMILESC1COC2CCSC2C1
InChIInChI=1S/C7H12OS/c1-2-7-6(8-4-1)3-5-9-7/h6-7H,1-5H2
InChIKeyANJRBASVYZDNGP-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.67
Rot. Bonds

About 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran

3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran (PubChem CID 118210349) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran.

Molecular Properties

Compound Name3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
PubChem CID118210349
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
SMILESC1COC2CCSC2C1
InChIInChI=1S/C7H12OS/c1-2-7-6(8-4-1)3-5-9-7/h6-7H,1-5H2
InChIKeyANJRBASVYZDNGP-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
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3-[6-(oxan-2-yl)thian-3-yl]thiane 1-oxide
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CID 101162206
2-(thiolan-2-yl)-1,3-oxazolidine
CID 117225672
2,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-b]furan
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3-(oxolan-2-yl)dioxolane
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2-[2-(thiolan-2-yl)cyclohexyl]thiolane
CID 173028007
(4aR,5aR,9aS,10aS)-2,3,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydronaphtho[2,3-b][1,4]dioxine
CID 13438326
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
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Frequently Asked Questions

What is the IUPAC name of 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran?
The IUPAC name of 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran (CID 118210349) is 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran.
What is the SMILES notation for 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran?
The canonical SMILES for 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran is C1COC2CCSC2C1.
What is the InChIKey of 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran?
The InChIKey is ANJRBASVYZDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-7-6(8-4-1)3-5-9-7/h6-7H,1-5H2.
What are the key properties of 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran?
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran has a molecular weight of 144.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran is sourced from PubChem (CID 118210349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).