4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol

C14H14O2S2 — CID 23290224

IUPAC4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol
SMILESSc1ccc(OCCOc2ccc(S)cc2)cc1
InChIInChI=1S/C14H14O2S2/c17-13-5-1-11(2-6-13)15-9-10-16-12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2
InChIKeyAUTCTEZPZAUDMZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.72
Rot. Bonds5

About 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol

4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol (PubChem CID 23290224) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol.

Molecular Properties

Compound Name4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol
PubChem CID23290224
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol
SMILESSc1ccc(OCCOc2ccc(S)cc2)cc1
InChIInChI=1S/C14H14O2S2/c17-13-5-1-11(2-6-13)15-9-10-16-12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2
InChIKeyAUTCTEZPZAUDMZ-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;4-propoxybenzenethiol
CID 175496916
4-(4-hexoxyphenyl)benzenethiol
CID 70387562
4-(4-heptoxyphenyl)benzenethiol
CID 70387971
4-prop-2-ynoxybenzenethiol
CID 155088552
triethyl-[5-(4-sulfanylphenoxy)pentyl]azanium
CID 141271617
pentakis(4-[2-(4-hexoxyphenyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376407
pentakis(4-[2-(4-heptoxyphenyl)ethynyl]benzenethiol);pentahydrofluoride
CID 173376409
CID 57452703
CID 57452703
CID 57451037
CID 57451037
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-(3-dimethylsilylpent-4-enoxy)benzenethiol
CID 154105807
1,4-bis(3-chloropropoxy)benzene
CID 20523958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol?
The IUPAC name of 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol (CID 23290224) is 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol.
What is the SMILES notation for 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol?
The canonical SMILES for 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol is Sc1ccc(OCCOc2ccc(S)cc2)cc1.
What is the InChIKey of 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol?
The InChIKey is AUTCTEZPZAUDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c17-13-5-1-11(2-6-13)15-9-10-16-12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2.
What are the key properties of 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol?
4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol has a molecular weight of 278.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol is sourced from PubChem (CID 23290224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).