sodium;propan-1-ol;sulfurothioic O-acid

C3H9NaO4S2 — CID 162066518

IUPACsodium;propan-1-ol;sulfurothioic O-acid
SMILESO=S(O)(O)=S.[CH2-]CCO.[Na+]
InChIInChI=1S/C3H7O.Na.H2O3S2/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H2,1,2,3,4)/q-1;+1;
InChIKeyFUVDSMHKDJEOET-UHFFFAOYSA-N
MW196.22 g/mol
LogP-3.11
Rot. Bonds1

About sodium;propan-1-ol;sulfurothioic O-acid

sodium;propan-1-ol;sulfurothioic O-acid (PubChem CID 162066518) has the molecular formula C3H9NaO4S2 and a molecular weight of 196.22 g/mol. Its IUPAC name is sodium;propan-1-ol;sulfurothioic O-acid.

Molecular Properties

Compound Namesodium;propan-1-ol;sulfurothioic O-acid
PubChem CID162066518
Molecular FormulaC3H9NaO4S2
Molecular Weight196.22 g/mol
Exact Mass195.98
IUPAC Namesodium;propan-1-ol;sulfurothioic O-acid
SMILESO=S(O)(O)=S.[CH2-]CCO.[Na+]
InChIInChI=1S/C3H7O.Na.H2O3S2/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H2,1,2,3,4)/q-1;+1;
InChIKeyFUVDSMHKDJEOET-UHFFFAOYSA-N
XLogP-3.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-3.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;propan-1-ol;sulfurothioic O-acid?
The IUPAC name of sodium;propan-1-ol;sulfurothioic O-acid (CID 162066518) is sodium;propan-1-ol;sulfurothioic O-acid.
What is the SMILES notation for sodium;propan-1-ol;sulfurothioic O-acid?
The canonical SMILES for sodium;propan-1-ol;sulfurothioic O-acid is O=S(O)(O)=S.[CH2-]CCO.[Na+].
What is the InChIKey of sodium;propan-1-ol;sulfurothioic O-acid?
The InChIKey is FUVDSMHKDJEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Na.H2O3S2/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;propan-1-ol;sulfurothioic O-acid?
sodium;propan-1-ol;sulfurothioic O-acid has a molecular weight of 196.22 g/mol, XLogP of -3.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propan-1-ol;sulfurothioic O-acid is sourced from PubChem (CID 162066518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).