hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane

C6H14O4S4 — CID 18324567

IUPAChydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane
SMILESCCCC(CCS(=O)(O)=S)S(=O)(O)=S
InChIInChI=1S/C6H14O4S4/c1-2-3-6(14(9,10)12)4-5-13(7,8)11/h6H,2-5H2,1H3,(H,7,8,11)(H,9,10,12)
InChIKeyUKACDCRLEUMJIN-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.98
Rot. Bonds6

About hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane

hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 18324567) has the molecular formula C6H14O4S4 and a molecular weight of 278.44 g/mol. Its IUPAC name is hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane
PubChem CID18324567
Molecular FormulaC6H14O4S4
Molecular Weight278.44 g/mol
Exact Mass277.98
IUPAC Namehydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane
SMILESCCCC(CCS(=O)(O)=S)S(=O)(O)=S
InChIInChI=1S/C6H14O4S4/c1-2-3-6(14(9,10)12)4-5-13(7,8)11/h6H,2-5H2,1H3,(H,7,8,11)(H,9,10,12)
InChIKeyUKACDCRLEUMJIN-UHFFFAOYSA-N
XLogP0.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane (CID 18324567) is hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane is CCCC(CCS(=O)(O)=S)S(=O)(O)=S.
What is the InChIKey of hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is UKACDCRLEUMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S4/c1-2-3-6(14(9,10)12)4-5-13(7,8)11/h6H,2-5H2,1H3,(H,7,8,11)(H,9,10,12).
What are the key properties of hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane?
hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 278.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1-hydroxysulfonothioylhexan-3-yl)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 18324567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).