CID 172834092

CH3Na2O2S — CID 172834092

IUPAC—
SMILESCS(=O)[O-].[Na+].[Na]
InChIInChI=1S/CH4O2S.2Na/c1-4(2)3;;/h1H3,(H,2,3);;/q;;+1/p-1
InChIKeyXVFOYUHLOSZFNF-UHFFFAOYSA-M
MW125.08 g/mol
LogP-3.88
Rot. Bonds

About CID 172834092

CID 172834092 (PubChem CID 172834092) has the molecular formula CH3Na2O2S and a molecular weight of 125.08 g/mol.

Molecular Properties

Compound NameCID 172834092
PubChem CID172834092
Molecular FormulaCH3Na2O2S
Molecular Weight125.08 g/mol
Exact Mass124.96
IUPAC Name—
SMILESCS(=O)[O-].[Na+].[Na]
InChIInChI=1S/CH4O2S.2Na/c1-4(2)3;;/h1H3,(H,2,3);;/q;;+1/p-1
InChIKeyXVFOYUHLOSZFNF-UHFFFAOYSA-M
XLogP-3.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.08
LogP ≤ 5-3.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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CID 19366461
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Frequently Asked Questions

What is the IUPAC name of CID 172834092?
The IUPAC name of CID 172834092 (CID 172834092) is not available.
What is the SMILES notation for CID 172834092?
The canonical SMILES for CID 172834092 is CS(=O)[O-].[Na+].[Na].
What is the InChIKey of CID 172834092?
The InChIKey is XVFOYUHLOSZFNF-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O2S.2Na/c1-4(2)3;;/h1H3,(H,2,3);;/q;;+1/p-1.
What are the key properties of CID 172834092?
CID 172834092 has a molecular weight of 125.08 g/mol, XLogP of -3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172834092 is sourced from PubChem (CID 172834092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).