hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane

C3H8O2S2 — CID 12728837

IUPAChydroxy-oxo-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(O)=S
InChIInChI=1S/C3H8O2S2/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)
InChIKeyMNTXWEUAWXSXIB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.62
Rot. Bonds2

About hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane

hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane (PubChem CID 12728837) has the molecular formula C3H8O2S2 and a molecular weight of 140.23 g/mol. Its IUPAC name is hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-propyl-sulfanylidene-λ6-sulfane
PubChem CID12728837
Molecular FormulaC3H8O2S2
Molecular Weight140.23 g/mol
Exact Mass140.00
IUPAC Namehydroxy-oxo-propyl-sulfanylidene-λ6-sulfane
SMILESCCCS(=O)(O)=S
InChIInChI=1S/C3H8O2S2/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)
InChIKeyMNTXWEUAWXSXIB-UHFFFAOYSA-N
XLogP0.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane (CID 12728837) is hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane is CCCS(=O)(O)=S.
What is the InChIKey of hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane?
The InChIKey is MNTXWEUAWXSXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S2/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6).
What are the key properties of hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane?
hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane has a molecular weight of 140.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 12728837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).