CID 59497977

C4HF3N2S — CID 59497977

IUPAC—
SMILES[CH]c1nsc(C(F)(F)F)n1
InChIInChI=1S/C4HF3N2S/c1-2-8-3(10-9-2)4(5,6)7/h1H
InChIKeyGABWPYZESDZDBY-UHFFFAOYSA-N
MW166.13 g/mol
LogP1.62
Rot. Bonds

About CID 59497977

CID 59497977 (PubChem CID 59497977) has the molecular formula C4HF3N2S and a molecular weight of 166.13 g/mol.

Molecular Properties

Compound NameCID 59497977
PubChem CID59497977
Molecular FormulaC4HF3N2S
Molecular Weight166.13 g/mol
Exact Mass165.98
IUPAC Name—
SMILES[CH]c1nsc(C(F)(F)F)n1
InChIInChI=1S/C4HF3N2S/c1-2-8-3(10-9-2)4(5,6)7/h1H
InChIKeyGABWPYZESDZDBY-UHFFFAOYSA-N
XLogP1.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59497977?
The IUPAC name of CID 59497977 (CID 59497977) is not available.
What is the SMILES notation for CID 59497977?
The canonical SMILES for CID 59497977 is [CH]c1nsc(C(F)(F)F)n1.
What is the InChIKey of CID 59497977?
The InChIKey is GABWPYZESDZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3N2S/c1-2-8-3(10-9-2)4(5,6)7/h1H.
What are the key properties of CID 59497977?
CID 59497977 has a molecular weight of 166.13 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59497977 is sourced from PubChem (CID 59497977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).