4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol

C7H8O2S — CID 88823469

IUPAC4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(=S=O)C(O)C=C1
InChIInChI=1S/C7H8O2S/c1-5-2-3-6(8)7(4-5)10-9/h2-4,6,8H,1H3
InChIKeyKVXFGKNDZMBOHC-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.25
Rot. Bonds

About 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol

4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol (PubChem CID 88823469) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol
PubChem CID88823469
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(=S=O)C(O)C=C1
InChIInChI=1S/C7H8O2S/c1-5-2-3-6(8)7(4-5)10-9/h2-4,6,8H,1H3
InChIKeyKVXFGKNDZMBOHC-UHFFFAOYSA-N
XLogP0.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.25
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 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol (CID 88823469) is 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol is CC1=CC(=S=O)C(O)C=C1.
What is the InChIKey of 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol?
The InChIKey is KVXFGKNDZMBOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-2-3-6(8)7(4-5)10-9/h2-4,6,8H,1H3.
What are the key properties of 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol?
4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol has a molecular weight of 156.21 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 88823469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).