CID 59498013

C4HF3N2OS2 — CID 59498013

IUPAC—
SMILES[CH]c1nsc(SOC(F)(F)F)n1
InChIInChI=1S/C4HF3N2OS2/c1-2-8-3(11-9-2)12-10-4(5,6)7/h1H
InChIKeyYOMAJNVFEUJPLG-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.14
Rot. Bonds2

About CID 59498013

CID 59498013 (PubChem CID 59498013) has the molecular formula C4HF3N2OS2 and a molecular weight of 214.19 g/mol.

Molecular Properties

Compound NameCID 59498013
PubChem CID59498013
Molecular FormulaC4HF3N2OS2
Molecular Weight214.19 g/mol
Exact Mass213.95
IUPAC Name—
SMILES[CH]c1nsc(SOC(F)(F)F)n1
InChIInChI=1S/C4HF3N2OS2/c1-2-8-3(11-9-2)12-10-4(5,6)7/h1H
InChIKeyYOMAJNVFEUJPLG-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59498013?
The IUPAC name of CID 59498013 (CID 59498013) is not available.
What is the SMILES notation for CID 59498013?
The canonical SMILES for CID 59498013 is [CH]c1nsc(SOC(F)(F)F)n1.
What is the InChIKey of CID 59498013?
The InChIKey is YOMAJNVFEUJPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3N2OS2/c1-2-8-3(11-9-2)12-10-4(5,6)7/h1H.
What are the key properties of CID 59498013?
CID 59498013 has a molecular weight of 214.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59498013 is sourced from PubChem (CID 59498013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).