sodium;propane;sulfane

C3H9NaS — CID 172838595

IUPACsodium;propane;sulfane
SMILESC[CH-]C.S.[Na+]
InChIInChI=1S/C3H7.Na.H2S/c1-3-2;;/h3H,1-2H3;;1H2/q-1;+1;
InChIKeyRWHFABFKYKZOBK-UHFFFAOYSA-N
MW100.16 g/mol
LogP-1.65
Rot. Bonds

About sodium;propane;sulfane

sodium;propane;sulfane (PubChem CID 172838595) has the molecular formula C3H9NaS and a molecular weight of 100.16 g/mol. Its IUPAC name is sodium;propane;sulfane.

Molecular Properties

Compound Namesodium;propane;sulfane
PubChem CID172838595
Molecular FormulaC3H9NaS
Molecular Weight100.16 g/mol
Exact Mass100.03
IUPAC Namesodium;propane;sulfane
SMILESC[CH-]C.S.[Na+]
InChIInChI=1S/C3H7.Na.H2S/c1-3-2;;/h3H,1-2H3;;1H2/q-1;+1;
InChIKeyRWHFABFKYKZOBK-UHFFFAOYSA-N
XLogP-1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;propane;sulfane?
The IUPAC name of sodium;propane;sulfane (CID 172838595) is sodium;propane;sulfane.
What is the SMILES notation for sodium;propane;sulfane?
The canonical SMILES for sodium;propane;sulfane is C[CH-]C.S.[Na+].
What is the InChIKey of sodium;propane;sulfane?
The InChIKey is RWHFABFKYKZOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7.Na.H2S/c1-3-2;;/h3H,1-2H3;;1H2/q-1;+1;.
What are the key properties of sodium;propane;sulfane?
sodium;propane;sulfane has a molecular weight of 100.16 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propane;sulfane is sourced from PubChem (CID 172838595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).