CID 20825978

CH3Cs2OS — CID 20825978

IUPAC—
SMILESCS[O-].[Cs+].[Cs]
InChIInChI=1S/CH4OS.2Cs/c1-3-2;;/h2H,1H3;;/q;;+1/p-1
InChIKeyFBKXGGKSKPPZNN-UHFFFAOYSA-M
MW328.91 g/mol
LogP-2.90
Rot. Bonds

About CID 20825978

CID 20825978 (PubChem CID 20825978) has the molecular formula CH3Cs2OS and a molecular weight of 328.91 g/mol.

Molecular Properties

Compound NameCID 20825978
PubChem CID20825978
Molecular FormulaCH3Cs2OS
Molecular Weight328.91 g/mol
Exact Mass328.80
IUPAC Name—
SMILESCS[O-].[Cs+].[Cs]
InChIInChI=1S/CH4OS.2Cs/c1-3-2;;/h2H,1H3;;/q;;+1/p-1
InChIKeyFBKXGGKSKPPZNN-UHFFFAOYSA-M
XLogP-2.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 20825978?
The IUPAC name of CID 20825978 (CID 20825978) is not available.
What is the SMILES notation for CID 20825978?
The canonical SMILES for CID 20825978 is CS[O-].[Cs+].[Cs].
What is the InChIKey of CID 20825978?
The InChIKey is FBKXGGKSKPPZNN-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4OS.2Cs/c1-3-2;;/h2H,1H3;;/q;;+1/p-1.
What are the key properties of CID 20825978?
CID 20825978 has a molecular weight of 328.91 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20825978 is sourced from PubChem (CID 20825978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).