(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol

C9H12O2S — CID 11735562

IUPAC(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol
SMILESC[C@]1(O)Cc2ccsc2[C@]1(C)O
InChIInChI=1S/C9H12O2S/c1-8(10)5-6-3-4-12-7(6)9(8,2)11/h3-4,10-11H,5H2,1-2H3/t8-,9-/m0/s1
InChIKeyVAWYYEUKZNSGAI-IUCAKERBSA-N
MW184.26 g/mol
LogP1.26
Rot. Bonds

About (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol

(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol (PubChem CID 11735562) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol.

Molecular Properties

Compound Name(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol
PubChem CID11735562
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol
SMILESC[C@]1(O)Cc2ccsc2[C@]1(C)O
InChIInChI=1S/C9H12O2S/c1-8(10)5-6-3-4-12-7(6)9(8,2)11/h3-4,10-11H,5H2,1-2H3/t8-,9-/m0/s1
InChIKeyVAWYYEUKZNSGAI-IUCAKERBSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol with MolForge

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Related Compounds

(5R)-6-methoxyimino-5-methyl-4H-cyclopenta[b]thiophen-5-ol
CID 131860282
6-(2-aminoethyl)-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ol
CID 112715527
1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554948
(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene
CID 11219415
2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79990861
5,5-dimethyl-4H-thieno[2,3-c]pyridine
CID 10630879
6,6-ditert-butyl-4,5-dihydrocyclopenta[b]thiophene
CID 176611106
3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 80698904
1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
CID 80700150
3a,8b-dimethyl-4,5-dihydrothieno[3,2-g][1]benzothiole
CID 70797262
3,7,9,13-tetrathiatetracyclo[6.6.0.02,6.010,14]tetradeca-2(6),4,10(14),11-tetraen-1-ol
CID 101352467
1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
CID 107359043

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol?
The IUPAC name of (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol (CID 11735562) is (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol.
What is the SMILES notation for (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol?
The canonical SMILES for (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol is C[C@]1(O)Cc2ccsc2[C@]1(C)O.
What is the InChIKey of (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol?
The InChIKey is VAWYYEUKZNSGAI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H12O2S/c1-8(10)5-6-3-4-12-7(6)9(8,2)11/h3-4,10-11H,5H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol?
(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol has a molecular weight of 184.26 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol is sourced from PubChem (CID 11735562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).