sodium thiophen-3-yl sulfate

C4H3NaO4S2 — CID 67085269

IUPACsodium thiophen-3-yl sulfate
SMILESO=S(=O)([O-])Oc1ccsc1.[Na+]
InChIInChI=1S/C4H4O4S2.Na/c5-10(6,7)8-4-1-2-9-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1
InChIKeyFGXFBCKSXODRCZ-UHFFFAOYSA-M
MW202.19 g/mol
LogP-2.41
Rot. Bonds2

About sodium thiophen-3-yl sulfate

sodium thiophen-3-yl sulfate (PubChem CID 67085269) has the molecular formula C4H3NaO4S2 and a molecular weight of 202.19 g/mol. Its IUPAC name is sodium thiophen-3-yl sulfate.

Molecular Properties

Compound Namesodium thiophen-3-yl sulfate
PubChem CID67085269
Molecular FormulaC4H3NaO4S2
Molecular Weight202.19 g/mol
Exact Mass201.94
IUPAC Namesodium thiophen-3-yl sulfate
SMILESO=S(=O)([O-])Oc1ccsc1.[Na+]
InChIInChI=1S/C4H4O4S2.Na/c5-10(6,7)8-4-1-2-9-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1
InChIKeyFGXFBCKSXODRCZ-UHFFFAOYSA-M
XLogP-2.41
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium thiophen-3-yl sulfate?
The IUPAC name of sodium thiophen-3-yl sulfate (CID 67085269) is sodium thiophen-3-yl sulfate.
What is the SMILES notation for sodium thiophen-3-yl sulfate?
The canonical SMILES for sodium thiophen-3-yl sulfate is O=S(=O)([O-])Oc1ccsc1.[Na+].
What is the InChIKey of sodium thiophen-3-yl sulfate?
The InChIKey is FGXFBCKSXODRCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4O4S2.Na/c5-10(6,7)8-4-1-2-9-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1.
What are the key properties of sodium thiophen-3-yl sulfate?
sodium thiophen-3-yl sulfate has a molecular weight of 202.19 g/mol, XLogP of -2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium thiophen-3-yl sulfate is sourced from PubChem (CID 67085269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).