CID 172795322

C6H5FNaS — CID 172795322

IUPAC—
SMILESFc1ccccc1S.[Na]
InChIInChI=1S/C6H5FS.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;
InChIKeyQCWHSGZCWHUNBY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.73
Rot. Bonds

About CID 172795322

CID 172795322 (PubChem CID 172795322) has the molecular formula C6H5FNaS and a molecular weight of 151.16 g/mol.

Molecular Properties

Compound NameCID 172795322
PubChem CID172795322
Molecular FormulaC6H5FNaS
Molecular Weight151.16 g/mol
Exact Mass151.00
IUPAC Name—
SMILESFc1ccccc1S.[Na]
InChIInChI=1S/C6H5FS.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;
InChIKeyQCWHSGZCWHUNBY-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.73
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 CID 172795322?
The IUPAC name of CID 172795322 (CID 172795322) is not available.
What is the SMILES notation for CID 172795322?
The canonical SMILES for CID 172795322 is Fc1ccccc1S.[Na].
What is the InChIKey of CID 172795322?
The InChIKey is QCWHSGZCWHUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FS.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;.
What are the key properties of CID 172795322?
CID 172795322 has a molecular weight of 151.16 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172795322 is sourced from PubChem (CID 172795322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).