methoxysulfanyl hydrogen carbonate

C2H4O4S — CID 18541673

IUPACmethoxysulfanyl hydrogen carbonate
SMILESCOSOC(=O)O
InChIInChI=1S/C2H4O4S/c1-5-7-6-2(3)4/h1H3,(H,3,4)
InChIKeyDGNZBSWBBAEDMA-UHFFFAOYSA-N
MW124.12 g/mol
LogP0.89
Rot. Bonds2

About methoxysulfanyl hydrogen carbonate

methoxysulfanyl hydrogen carbonate (PubChem CID 18541673) has the molecular formula C2H4O4S and a molecular weight of 124.12 g/mol. Its IUPAC name is methoxysulfanyl hydrogen carbonate.

Molecular Properties

Compound Namemethoxysulfanyl hydrogen carbonate
PubChem CID18541673
Molecular FormulaC2H4O4S
Molecular Weight124.12 g/mol
Exact Mass123.98
IUPAC Namemethoxysulfanyl hydrogen carbonate
SMILESCOSOC(=O)O
InChIInChI=1S/C2H4O4S/c1-5-7-6-2(3)4/h1H3,(H,3,4)
InChIKeyDGNZBSWBBAEDMA-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methoxysulfanyl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxysulfanyl hydrogen carbonate?
The IUPAC name of methoxysulfanyl hydrogen carbonate (CID 18541673) is methoxysulfanyl hydrogen carbonate.
What is the SMILES notation for methoxysulfanyl hydrogen carbonate?
The canonical SMILES for methoxysulfanyl hydrogen carbonate is COSOC(=O)O.
What is the InChIKey of methoxysulfanyl hydrogen carbonate?
The InChIKey is DGNZBSWBBAEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S/c1-5-7-6-2(3)4/h1H3,(H,3,4).
What are the key properties of methoxysulfanyl hydrogen carbonate?
methoxysulfanyl hydrogen carbonate has a molecular weight of 124.12 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfanyl hydrogen carbonate is sourced from PubChem (CID 18541673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).