oxido-propyl-sulfanylidene-λ4-sulfane

C3H7OS2- — CID 24811287

IUPACoxido-propyl-sulfanylidene-λ4-sulfane
SMILESCCCS([O-])=S
InChIInChI=1S/C3H8OS2/c1-2-3-6(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyPEUFCLBZTWASOL-UHFFFAOYSA-M
MW123.22 g/mol
LogP0.61
Rot. Bonds2

About oxido-propyl-sulfanylidene-λ4-sulfane

oxido-propyl-sulfanylidene-λ4-sulfane (PubChem CID 24811287) has the molecular formula C3H7OS2- and a molecular weight of 123.22 g/mol. Its IUPAC name is oxido-propyl-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Nameoxido-propyl-sulfanylidene-λ4-sulfane
PubChem CID24811287
Molecular FormulaC3H7OS2-
Molecular Weight123.22 g/mol
Exact Mass122.99
IUPAC Nameoxido-propyl-sulfanylidene-λ4-sulfane
SMILESCCCS([O-])=S
InChIInChI=1S/C3H8OS2/c1-2-3-6(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyPEUFCLBZTWASOL-UHFFFAOYSA-M
XLogP0.61
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxido-propyl-sulfanylidene-λ4-sulfane?
The IUPAC name of oxido-propyl-sulfanylidene-λ4-sulfane (CID 24811287) is oxido-propyl-sulfanylidene-λ4-sulfane.
What is the SMILES notation for oxido-propyl-sulfanylidene-λ4-sulfane?
The canonical SMILES for oxido-propyl-sulfanylidene-λ4-sulfane is CCCS([O-])=S.
What is the InChIKey of oxido-propyl-sulfanylidene-λ4-sulfane?
The InChIKey is PEUFCLBZTWASOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8OS2/c1-2-3-6(4)5/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of oxido-propyl-sulfanylidene-λ4-sulfane?
oxido-propyl-sulfanylidene-λ4-sulfane has a molecular weight of 123.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-propyl-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 24811287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).