6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol

C7H8O2S — CID 174708296

IUPAC6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol
SMILESCC(O)C1(O)c2cscc21
InChIInChI=1S/C7H8O2S/c1-4(8)7(9)5-2-10-3-6(5)7/h2-4,8-9H,1H3
InChIKeyMFJVGSGZTDHWPL-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.68
Rot. Bonds1

About 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol

6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol (PubChem CID 174708296) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol
PubChem CID174708296
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol
SMILESCC(O)C1(O)c2cscc21
InChIInChI=1S/C7H8O2S/c1-4(8)7(9)5-2-10-3-6(5)7/h2-4,8-9H,1H3
InChIKeyMFJVGSGZTDHWPL-UHFFFAOYSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol?
The IUPAC name of 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol (CID 174708296) is 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol.
What is the SMILES notation for 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol?
The canonical SMILES for 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol is CC(O)C1(O)c2cscc21.
What is the InChIKey of 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol?
The InChIKey is MFJVGSGZTDHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-4(8)7(9)5-2-10-3-6(5)7/h2-4,8-9H,1H3.
What are the key properties of 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol?
6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol has a molecular weight of 156.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-3-thiabicyclo[3.1.0]hexa-1,4-dien-6-ol is sourced from PubChem (CID 174708296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).