6-thiophen-3-yloxyhexane-1-sulfonic acid

C10H16O4S2 — CID 87451736

IUPAC6-thiophen-3-yloxyhexane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCOc1ccsc1
InChIInChI=1S/C10H16O4S2/c11-16(12,13)8-4-2-1-3-6-14-10-5-7-15-9-10/h5,7,9H,1-4,6,8H2,(H,11,12,13)
InChIKeyYMNCRGNSNIBWEC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds8

About 6-thiophen-3-yloxyhexane-1-sulfonic acid

6-thiophen-3-yloxyhexane-1-sulfonic acid (PubChem CID 87451736) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-thiophen-3-yloxyhexane-1-sulfonic acid.

Molecular Properties

Compound Name6-thiophen-3-yloxyhexane-1-sulfonic acid
PubChem CID87451736
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name6-thiophen-3-yloxyhexane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCOc1ccsc1
InChIInChI=1S/C10H16O4S2/c11-16(12,13)8-4-2-1-3-6-14-10-5-7-15-9-10/h5,7,9H,1-4,6,8H2,(H,11,12,13)
InChIKeyYMNCRGNSNIBWEC-UHFFFAOYSA-N
XLogP2.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

thiophen-3-yloxymethanesulfonic acid
CID 139766978
10-phenoxydecane-1-sulfonic acid
CID 58984193
4-(4-heptoxyphenoxy)butane-1-sulfonic acid
CID 58983762
8-thiophen-3-yloctane-1-sulfonic acid
CID 87451833
4-thiophen-3-yloxybutanoyl chloride
CID 165145496
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
CID 11108420
sodium;hydride;4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 173443474
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
6-(3-formylphenoxy)hexane-1-sulfonic acid
CID 134562395
but-1-ene;5-(4-methylphenoxy)pentane-1-sulfonic acid
CID 142364186
4-(4-methylsulfanylperoxyphenoxy)butane-1-sulfonic acid
CID 58914102
octane-1,8-disulfonic acid
CID 18172926

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-yloxyhexane-1-sulfonic acid?
The IUPAC name of 6-thiophen-3-yloxyhexane-1-sulfonic acid (CID 87451736) is 6-thiophen-3-yloxyhexane-1-sulfonic acid.
What is the SMILES notation for 6-thiophen-3-yloxyhexane-1-sulfonic acid?
The canonical SMILES for 6-thiophen-3-yloxyhexane-1-sulfonic acid is O=S(=O)(O)CCCCCCOc1ccsc1.
What is the InChIKey of 6-thiophen-3-yloxyhexane-1-sulfonic acid?
The InChIKey is YMNCRGNSNIBWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c11-16(12,13)8-4-2-1-3-6-14-10-5-7-15-9-10/h5,7,9H,1-4,6,8H2,(H,11,12,13).
What are the key properties of 6-thiophen-3-yloxyhexane-1-sulfonic acid?
6-thiophen-3-yloxyhexane-1-sulfonic acid has a molecular weight of 264.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yloxyhexane-1-sulfonic acid is sourced from PubChem (CID 87451736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).