hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane

C5H10O3S2 — CID 54564918

IUPAChydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
SMILESCC=CCCOS(=O)(O)=S
InChIInChI=1S/C5H10O3S2/c1-2-3-4-5-8-10(6,7)9/h2-3H,4-5H2,1H3,(H,6,7,9)
InChIKeyZTCUSKRBFBTVRA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.10
Rot. Bonds4

About hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane

hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane (PubChem CID 54564918) has the molecular formula C5H10O3S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
PubChem CID54564918
Molecular FormulaC5H10O3S2
Molecular Weight182.27 g/mol
Exact Mass182.01
IUPAC Namehydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
SMILESCC=CCCOS(=O)(O)=S
InChIInChI=1S/C5H10O3S2/c1-2-3-4-5-8-10(6,7)9/h2-3H,4-5H2,1H3,(H,6,7,9)
InChIKeyZTCUSKRBFBTVRA-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxysulfonothioyloxybutan-2-one
CID 161326060
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
O-[(E)-pent-3-enyl]hydroxylamine
CID 87591306
barium(2+);hydride;hydroxy-(3-methylbutoxy)-oxo-sulfanylidene-λ6-sulfane
CID 173237686
CID 87964980
CID 87964980
[(Z)-hex-4-enyl] sulfamate
CID 91862963
2-hydroxysulfonothioyloxy-N-methylethanamine
CID 140635513
pent-3-enyl acetate
CID 54089070
pent-3-enyl hydrogen carbonate
CID 54464820
(Z)-5-methoxypent-2-ene
CID 59946556
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
[(E)-pent-3-enyl] formate
CID 14644551

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane (CID 54564918) is hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane is CC=CCCOS(=O)(O)=S.
What is the InChIKey of hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane?
The InChIKey is ZTCUSKRBFBTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S2/c1-2-3-4-5-8-10(6,7)9/h2-3H,4-5H2,1H3,(H,6,7,9).
What are the key properties of hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane?
hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane has a molecular weight of 182.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54564918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).