hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane

C4H10O4S4 — CID 18324572

IUPAChydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCCCC(S(=O)(O)=S)S(=O)(O)=S
InChIInChI=1S/C4H10O4S4/c1-2-3-4(11(5,6)9)12(7,8)10/h4H,2-3H2,1H3,(H,5,6,9)(H,7,8,10)
InChIKeyDIHGLXKVDJXVEN-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.55
Rot. Bonds4

About hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane

hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 18324572) has the molecular formula C4H10O4S4 and a molecular weight of 250.39 g/mol. Its IUPAC name is hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane
PubChem CID18324572
Molecular FormulaC4H10O4S4
Molecular Weight250.39 g/mol
Exact Mass249.95
IUPAC Namehydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCCCC(S(=O)(O)=S)S(=O)(O)=S
InChIInChI=1S/C4H10O4S4/c1-2-3-4(11(5,6)9)12(7,8)10/h4H,2-3H2,1H3,(H,5,6,9)(H,7,8,10)
InChIKeyDIHGLXKVDJXVEN-UHFFFAOYSA-N
XLogP0.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane
CID 18324567
hydroxy-oxo-sulfanylidene-tetradecan-2-yl-λ6-sulfane
CID 154274925
4,6-dipropylnonane-5,5-disulfonic acid
CID 89439471
pentane;silver;sulfurothioic O-acid
CID 174495617
azane;ethanol;sulfurothioic O-acid
CID 175527325
butan-2-ol;sulfurothioic O-acid
CID 175241517
pentan-2-yl hydrogen sulfate
CID 23335662
1-aminopentane-2-sulfonic acid
CID 88729087
di(pentacosan-4-yl)phosphane;sulfuric acid
CID 129071958
butane;sulfuric acid;zinc
CID 175431012
1-(2-ethoxy-2-oxoethoxy)sulfonylbutane-1-sulfonic acid
CID 175375483
nonane-5-sulfonic acid
CID 22325204

Frequently Asked Questions

What is the IUPAC name of hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane (CID 18324572) is hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane is CCCC(S(=O)(O)=S)S(=O)(O)=S.
What is the InChIKey of hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is DIHGLXKVDJXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S4/c1-2-3-4(11(5,6)9)12(7,8)10/h4H,2-3H2,1H3,(H,5,6,9)(H,7,8,10).
What are the key properties of hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane?
hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 250.39 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 18324572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).