1-fluorocyclohexa-2,4-diene-1-thiol

C6H7FS — CID 154434638

IUPAC1-fluorocyclohexa-2,4-diene-1-thiol
SMILESFC1(S)C=CC=CC1
InChIInChI=1S/C6H7FS/c7-6(8)4-2-1-3-5-6/h1-4,8H,5H2
InChIKeyJWFZVPUNLWMIMW-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.10
Rot. Bonds

About 1-fluorocyclohexa-2,4-diene-1-thiol

1-fluorocyclohexa-2,4-diene-1-thiol (PubChem CID 154434638) has the molecular formula C6H7FS and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-fluorocyclohexa-2,4-diene-1-thiol.

Molecular Properties

Compound Name1-fluorocyclohexa-2,4-diene-1-thiol
PubChem CID154434638
Molecular FormulaC6H7FS
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name1-fluorocyclohexa-2,4-diene-1-thiol
SMILESFC1(S)C=CC=CC1
InChIInChI=1S/C6H7FS/c7-6(8)4-2-1-3-5-6/h1-4,8H,5H2
InChIKeyJWFZVPUNLWMIMW-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclohexa-2,4-diene-1-thiol?
The IUPAC name of 1-fluorocyclohexa-2,4-diene-1-thiol (CID 154434638) is 1-fluorocyclohexa-2,4-diene-1-thiol.
What is the SMILES notation for 1-fluorocyclohexa-2,4-diene-1-thiol?
The canonical SMILES for 1-fluorocyclohexa-2,4-diene-1-thiol is FC1(S)C=CC=CC1.
What is the InChIKey of 1-fluorocyclohexa-2,4-diene-1-thiol?
The InChIKey is JWFZVPUNLWMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FS/c7-6(8)4-2-1-3-5-6/h1-4,8H,5H2.
What are the key properties of 1-fluorocyclohexa-2,4-diene-1-thiol?
1-fluorocyclohexa-2,4-diene-1-thiol has a molecular weight of 130.19 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-2,4-diene-1-thiol is sourced from PubChem (CID 154434638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).