5-fluoro-4-methyl-2-phosphanylbenzenethiol

C7H8FPS — CID 144704410

IUPAC5-fluoro-4-methyl-2-phosphanylbenzenethiol
SMILESCc1cc(P)c(S)cc1F
InChIInChI=1S/C7H8FPS/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,9H2,1H3
InChIKeySNKRMHCBLZJHAG-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.92
Rot. Bonds

About 5-fluoro-4-methyl-2-phosphanylbenzenethiol

5-fluoro-4-methyl-2-phosphanylbenzenethiol (PubChem CID 144704410) has the molecular formula C7H8FPS and a molecular weight of 174.18 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-phosphanylbenzenethiol.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-phosphanylbenzenethiol
PubChem CID144704410
Molecular FormulaC7H8FPS
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name5-fluoro-4-methyl-2-phosphanylbenzenethiol
SMILESCc1cc(P)c(S)cc1F
InChIInChI=1S/C7H8FPS/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,9H2,1H3
InChIKeySNKRMHCBLZJHAG-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-methyl-2-phosphanylbenzenethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-phosphanylbenzenethiol?
The IUPAC name of 5-fluoro-4-methyl-2-phosphanylbenzenethiol (CID 144704410) is 5-fluoro-4-methyl-2-phosphanylbenzenethiol.
What is the SMILES notation for 5-fluoro-4-methyl-2-phosphanylbenzenethiol?
The canonical SMILES for 5-fluoro-4-methyl-2-phosphanylbenzenethiol is Cc1cc(P)c(S)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-phosphanylbenzenethiol?
The InChIKey is SNKRMHCBLZJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FPS/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,9H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-phosphanylbenzenethiol?
5-fluoro-4-methyl-2-phosphanylbenzenethiol has a molecular weight of 174.18 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-phosphanylbenzenethiol is sourced from PubChem (CID 144704410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).