6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol

C15H12O2S2 — CID 173353316

IUPAC6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol
SMILESOc1cc2ccc(SCc3ccsc3)cc2cc1O
InChIInChI=1S/C15H12O2S2/c16-14-6-11-1-2-13(5-12(11)7-15(14)17)19-9-10-3-4-18-8-10/h1-8,16-17H,9H2
InChIKeyQSAPHQKVZCWALN-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.60
Rot. Bonds3

About 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol

6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol (PubChem CID 173353316) has the molecular formula C15H12O2S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol.

Molecular Properties

Compound Name6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol
PubChem CID173353316
Molecular FormulaC15H12O2S2
Molecular Weight288.39 g/mol
Exact Mass288.03
IUPAC Name6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol
SMILESOc1cc2ccc(SCc3ccsc3)cc2cc1O
InChIInChI=1S/C15H12O2S2/c16-14-6-11-1-2-13(5-12(11)7-15(14)17)19-9-10-3-4-18-8-10/h1-8,16-17H,9H2
InChIKeyQSAPHQKVZCWALN-UHFFFAOYSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(thiophen-3-ylmethylsulfanyl)pyridin-2-amine
CID 43646241
4-(naphthalen-2-ylmethylsulfanyl)phenol
CID 175432279
5-[(3,4-dihydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triol
CID 15840399
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
S-(thiophen-3-ylmethyl) ethanethioate
CID 54410946
2-(thiophen-3-ylmethylsulfanyl)pyridine-4-carboxylic acid
CID 61301082
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 142174785
3-[(3-thiophen-3-ylphenyl)methylsulfanyl]benzaldehyde
CID 19744505
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514537
2-amino-4-[(4-fluorophenyl)sulfanylmethyl]phenol
CID 43377097

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol?
The IUPAC name of 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol (CID 173353316) is 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol.
What is the SMILES notation for 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol?
The canonical SMILES for 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol is Oc1cc2ccc(SCc3ccsc3)cc2cc1O.
What is the InChIKey of 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol?
The InChIKey is QSAPHQKVZCWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S2/c16-14-6-11-1-2-13(5-12(11)7-15(14)17)19-9-10-3-4-18-8-10/h1-8,16-17H,9H2.
What are the key properties of 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol?
6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol has a molecular weight of 288.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-3-ylmethylsulfanyl)naphthalene-2,3-diol is sourced from PubChem (CID 173353316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).