phenylcarbamothioic S-acid;hydrofluoride

C7H8FNOS — CID 175225521

IUPACphenylcarbamothioic S-acid;hydrofluoride
SMILESF.O=C(S)Nc1ccccc1
InChIInChI=1S/C7H7NOS.FH/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H
InChIKeyONIVDNCQMGZWML-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.30
Rot. Bonds1

About phenylcarbamothioic S-acid;hydrofluoride

phenylcarbamothioic S-acid;hydrofluoride (PubChem CID 175225521) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is phenylcarbamothioic S-acid;hydrofluoride.

Molecular Properties

Compound Namephenylcarbamothioic S-acid;hydrofluoride
PubChem CID175225521
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Namephenylcarbamothioic S-acid;hydrofluoride
SMILESF.O=C(S)Nc1ccccc1
InChIInChI=1S/C7H7NOS.FH/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H
InChIKeyONIVDNCQMGZWML-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylcarbamothioic S-acid;hydrofluoride?
The IUPAC name of phenylcarbamothioic S-acid;hydrofluoride (CID 175225521) is phenylcarbamothioic S-acid;hydrofluoride.
What is the SMILES notation for phenylcarbamothioic S-acid;hydrofluoride?
The canonical SMILES for phenylcarbamothioic S-acid;hydrofluoride is F.O=C(S)Nc1ccccc1.
What is the InChIKey of phenylcarbamothioic S-acid;hydrofluoride?
The InChIKey is ONIVDNCQMGZWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS.FH/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H.
What are the key properties of phenylcarbamothioic S-acid;hydrofluoride?
phenylcarbamothioic S-acid;hydrofluoride has a molecular weight of 173.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylcarbamothioic S-acid;hydrofluoride is sourced from PubChem (CID 175225521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).