4-hydroxysulfonothioyloxybutan-2-one

C4H8O4S2 — CID 161326060

IUPAC4-hydroxysulfonothioyloxybutan-2-one
SMILESCC(=O)CCOS(=O)(O)=S
InChIInChI=1S/C4H8O4S2/c1-4(5)2-3-8-10(6,7)9/h2-3H2,1H3,(H,6,7,9)
InChIKeyLRUAXIPWPWFPKF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds4

About 4-hydroxysulfonothioyloxybutan-2-one

4-hydroxysulfonothioyloxybutan-2-one (PubChem CID 161326060) has the molecular formula C4H8O4S2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-hydroxysulfonothioyloxybutan-2-one.

Molecular Properties

Compound Name4-hydroxysulfonothioyloxybutan-2-one
PubChem CID161326060
Molecular FormulaC4H8O4S2
Molecular Weight184.24 g/mol
Exact Mass183.99
IUPAC Name4-hydroxysulfonothioyloxybutan-2-one
SMILESCC(=O)CCOS(=O)(O)=S
InChIInChI=1S/C4H8O4S2/c1-4(5)2-3-8-10(6,7)9/h2-3H2,1H3,(H,6,7,9)
InChIKeyLRUAXIPWPWFPKF-UHFFFAOYSA-N
XLogP0.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxobutyl sulfamate
CID 165129183
12-hydroxysulfonothioyloxydodecanoic acid
CID 54001849
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
CID 54564918
19-oxoicosyl hydrogen sulfate
CID 88640625
CID 87964980
CID 87964980
2-hydroxysulfonothioyloxy-N-methylethanamine
CID 140635513
3-oxobutyl 4-methylbenzenesulfonate
CID 71361686
barium(2+);hydride;hydroxy-(3-methylbutoxy)-oxo-sulfanylidene-λ6-sulfane
CID 173237686
sodium 5-oxohexyl sulfate
CID 175694794
hexane-2,5-dione
CID 8035
4-methylperoxybutan-2-one
CID 20686661

Frequently Asked Questions

What is the IUPAC name of 4-hydroxysulfonothioyloxybutan-2-one?
The IUPAC name of 4-hydroxysulfonothioyloxybutan-2-one (CID 161326060) is 4-hydroxysulfonothioyloxybutan-2-one.
What is the SMILES notation for 4-hydroxysulfonothioyloxybutan-2-one?
The canonical SMILES for 4-hydroxysulfonothioyloxybutan-2-one is CC(=O)CCOS(=O)(O)=S.
What is the InChIKey of 4-hydroxysulfonothioyloxybutan-2-one?
The InChIKey is LRUAXIPWPWFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S2/c1-4(5)2-3-8-10(6,7)9/h2-3H2,1H3,(H,6,7,9).
What are the key properties of 4-hydroxysulfonothioyloxybutan-2-one?
4-hydroxysulfonothioyloxybutan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxysulfonothioyloxybutan-2-one is sourced from PubChem (CID 161326060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).