5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione

C8H10OS — CID 174504587

IUPAC5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione
SMILESCCC1=CC=CC(=S)C1O
InChIInChI=1S/C8H10OS/c1-2-6-4-3-5-7(10)8(6)9/h3-5,8-9H,2H2,1H3
InChIKeyVHGRSWWOEOIQHU-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.62
Rot. Bonds1

About 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione

5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione (PubChem CID 174504587) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione.

Molecular Properties

Compound Name5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione
PubChem CID174504587
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione
SMILESCCC1=CC=CC(=S)C1O
InChIInChI=1S/C8H10OS/c1-2-6-4-3-5-7(10)8(6)9/h3-5,8-9H,2H2,1H3
InChIKeyVHGRSWWOEOIQHU-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione?
The IUPAC name of 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione (CID 174504587) is 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione.
What is the SMILES notation for 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione?
The canonical SMILES for 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione is CCC1=CC=CC(=S)C1O.
What is the InChIKey of 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione?
The InChIKey is VHGRSWWOEOIQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-6-4-3-5-7(10)8(6)9/h3-5,8-9H,2H2,1H3.
What are the key properties of 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione?
5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione has a molecular weight of 154.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione is sourced from PubChem (CID 174504587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).