hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane

C3H6O3S2 — CID 175640045

IUPAChydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
SMILESC/C=C\OS(=O)(O)=S
InChIInChI=1S/C3H6O3S2/c1-2-3-6-8(4,5)7/h2-3H,1H3,(H,4,5,7)/b3-2-
InChIKeyTWPIBJVPZSVWEQ-IHWYPQMZSA-N
MW154.21 g/mol
LogP0.67
Rot. Bonds2

About hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane

hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane (PubChem CID 175640045) has the molecular formula C3H6O3S2 and a molecular weight of 154.21 g/mol. Its IUPAC name is hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
PubChem CID175640045
Molecular FormulaC3H6O3S2
Molecular Weight154.21 g/mol
Exact Mass153.98
IUPAC Namehydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
SMILESC/C=C\OS(=O)(O)=S
InChIInChI=1S/C3H6O3S2/c1-2-3-6-8(4,5)7/h2-3H,1H3,(H,4,5,7)/b3-2-
InChIKeyTWPIBJVPZSVWEQ-IHWYPQMZSA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane (CID 175640045) is hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane is C/C=C\OS(=O)(O)=S.
What is the InChIKey of hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The InChIKey is TWPIBJVPZSVWEQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H6O3S2/c1-2-3-6-8(4,5)7/h2-3H,1H3,(H,4,5,7)/b3-2-.
What are the key properties of hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane has a molecular weight of 154.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 175640045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).