CID 21274700

ClFO4S2 — CID 21274700

IUPAC—
SMILESO=S(=O)(F)S(=O)(=O)Cl
InChIInChI=1S/ClFO4S2/c1-7(3,4)8(2,5)6
InChIKeyFIDRSBRHDPVJLW-UHFFFAOYSA-N
MW182.58 g/mol
LogP-0.23
Rot. Bonds1

About CID 21274700

CID 21274700 (PubChem CID 21274700) has the molecular formula ClFO4S2 and a molecular weight of 182.58 g/mol.

Molecular Properties

Compound NameCID 21274700
PubChem CID21274700
Molecular FormulaClFO4S2
Molecular Weight182.58 g/mol
Exact Mass181.89
IUPAC Name—
SMILESO=S(=O)(F)S(=O)(=O)Cl
InChIInChI=1S/ClFO4S2/c1-7(3,4)8(2,5)6
InChIKeyFIDRSBRHDPVJLW-UHFFFAOYSA-N
XLogP-0.23
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.58
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21274700?
The IUPAC name of CID 21274700 (CID 21274700) is not available.
What is the SMILES notation for CID 21274700?
The canonical SMILES for CID 21274700 is O=S(=O)(F)S(=O)(=O)Cl.
What is the InChIKey of CID 21274700?
The InChIKey is FIDRSBRHDPVJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClFO4S2/c1-7(3,4)8(2,5)6.
What are the key properties of CID 21274700?
CID 21274700 has a molecular weight of 182.58 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21274700 is sourced from PubChem (CID 21274700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).