6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol

C8H14O2S — CID 143301622

IUPAC6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol
SMILESCOC12CCCC1(S)CCO2
InChIInChI=1S/C8H14O2S/c1-9-8-4-2-3-7(8,11)5-6-10-8/h11H,2-6H2,1H3
InChIKeyMBRUHJOPWBWHHR-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.60
Rot. Bonds1

About 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol

6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol (PubChem CID 143301622) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol.

Molecular Properties

Compound Name6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol
PubChem CID143301622
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol
SMILESCOC12CCCC1(S)CCO2
InChIInChI=1S/C8H14O2S/c1-9-8-4-2-3-7(8,11)5-6-10-8/h11H,2-6H2,1H3
InChIKeyMBRUHJOPWBWHHR-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 69014392
6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 11298330
(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide
CID 167835535
2,2,6,6-tetraethyl-1,1-dimethoxysilinane
CID 139804875
2-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxolan-2-yl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolane
CID 90267990
(1S,3S,4S,6S,7R,8S,10S)-6-ethylsulfanyl-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
CID 10783947
6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 69015950
(2-ethyloxetan-2-yl)-trimethoxysilane
CID 67613618
CID 87686017
CID 87686017
(6aS)-6a-methoxy-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylic acid
CID 146513013
(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol
CID 10590599
2-ethyl-2-methoxy-1,3-dioxolane
CID 13229909

Frequently Asked Questions

What is the IUPAC name of 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol?
The IUPAC name of 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol (CID 143301622) is 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol.
What is the SMILES notation for 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol?
The canonical SMILES for 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol is COC12CCCC1(S)CCO2.
What is the InChIKey of 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol?
The InChIKey is MBRUHJOPWBWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-9-8-4-2-3-7(8,11)5-6-10-8/h11H,2-6H2,1H3.
What are the key properties of 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol?
6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol has a molecular weight of 174.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-thiol is sourced from PubChem (CID 143301622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).