4-thiatricyclo[5.2.1.02,6]decane-8,9-diol

C9H14O2S — CID 130143517

IUPAC4-thiatricyclo[5.2.1.02,6]decane-8,9-diol
SMILESOC1C(O)C2CC1C1CSCC21
InChIInChI=1S/C9H14O2S/c10-8-4-1-5(9(8)11)7-3-12-2-6(4)7/h4-11H,1-3H2
InChIKeyNLZUAGWPWDBSDC-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.34
Rot. Bonds

About 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol

4-thiatricyclo[5.2.1.02,6]decane-8,9-diol (PubChem CID 130143517) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol.

Molecular Properties

Compound Name4-thiatricyclo[5.2.1.02,6]decane-8,9-diol
PubChem CID130143517
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name4-thiatricyclo[5.2.1.02,6]decane-8,9-diol
SMILESOC1C(O)C2CC1C1CSCC21
InChIInChI=1S/C9H14O2S/c10-8-4-1-5(9(8)11)7-3-12-2-6(4)7/h4-11H,1-3H2
InChIKeyNLZUAGWPWDBSDC-UHFFFAOYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol
CID 130731382
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798
tetrakis(thietan-3-ol);zirconium
CID 140598106
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
CID 124541002
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 6542091
bicyclo[2.2.1]heptane-2,5,7-triol
CID 22290058
(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
CID 169042075
(1R,5S,6S,7R,8R)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7-diol
CID 169451108
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
CID 6565918

Frequently Asked Questions

What is the IUPAC name of 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol?
The IUPAC name of 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol (CID 130143517) is 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol.
What is the SMILES notation for 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol?
The canonical SMILES for 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol is OC1C(O)C2CC1C1CSCC21.
What is the InChIKey of 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol?
The InChIKey is NLZUAGWPWDBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c10-8-4-1-5(9(8)11)7-3-12-2-6(4)7/h4-11H,1-3H2.
What are the key properties of 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol?
4-thiatricyclo[5.2.1.02,6]decane-8,9-diol has a molecular weight of 186.28 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiatricyclo[5.2.1.02,6]decane-8,9-diol is sourced from PubChem (CID 130143517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).