CID 175968172

C5H6F5S3- — CID 175968172

IUPAC—
SMILESCCC(F)C(F)(F)C(F)(F)[S-](=S)=S
InChIInChI=1S/C5H6F5S3/c1-2-3(6)4(7,8)5(9,10)13(11)12/h3H,2H2,1H3/q-1
InChIKeyJGTPBZZQJJVOLF-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.50
Rot. Bonds4

About CID 175968172

CID 175968172 (PubChem CID 175968172) has the molecular formula C5H6F5S3- and a molecular weight of 257.29 g/mol.

Molecular Properties

Compound NameCID 175968172
PubChem CID175968172
Molecular FormulaC5H6F5S3-
Molecular Weight257.29 g/mol
Exact Mass256.96
IUPAC Name—
SMILESCCC(F)C(F)(F)C(F)(F)[S-](=S)=S
InChIInChI=1S/C5H6F5S3/c1-2-3(6)4(7,8)5(9,10)13(11)12/h3H,2H2,1H3/q-1
InChIKeyJGTPBZZQJJVOLF-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175968172?
The IUPAC name of CID 175968172 (CID 175968172) is not available.
What is the SMILES notation for CID 175968172?
The canonical SMILES for CID 175968172 is CCC(F)C(F)(F)C(F)(F)[S-](=S)=S.
What is the InChIKey of CID 175968172?
The InChIKey is JGTPBZZQJJVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5S3/c1-2-3(6)4(7,8)5(9,10)13(11)12/h3H,2H2,1H3/q-1.
What are the key properties of CID 175968172?
CID 175968172 has a molecular weight of 257.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175968172 is sourced from PubChem (CID 175968172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).