3,6-dithiophen-2-ylbenzene-1,2-diol

C14H10O2S2 — CID 122606222

IUPAC3,6-dithiophen-2-ylbenzene-1,2-diol
SMILESOc1c(-c2cccs2)ccc(-c2cccs2)c1O
InChIInChI=1S/C14H10O2S2/c15-13-9(11-3-1-7-17-11)5-6-10(14(13)16)12-4-2-8-18-12/h1-8,15-16H
InChIKeyHWSCPPXRSYKOMB-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.55
Rot. Bonds2

About 3,6-dithiophen-2-ylbenzene-1,2-diol

3,6-dithiophen-2-ylbenzene-1,2-diol (PubChem CID 122606222) has the molecular formula C14H10O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,6-dithiophen-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name3,6-dithiophen-2-ylbenzene-1,2-diol
PubChem CID122606222
Molecular FormulaC14H10O2S2
Molecular Weight274.37 g/mol
Exact Mass274.01
IUPAC Name3,6-dithiophen-2-ylbenzene-1,2-diol
SMILESOc1c(-c2cccs2)ccc(-c2cccs2)c1O
InChIInChI=1S/C14H10O2S2/c15-13-9(11-3-1-7-17-11)5-6-10(14(13)16)12-4-2-8-18-12/h1-8,15-16H
InChIKeyHWSCPPXRSYKOMB-UHFFFAOYSA-N
XLogP4.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.55
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

2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749
1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
CID 163210788
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
2-(2,4-dimethylphenyl)thiophene
CID 12781163
4-thiophen-2-ylbenzene-1,3-diamine
CID 22644265
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
thiophene;2-thiophen-2-ylthiophene
CID 158809122

Frequently Asked Questions

What is the IUPAC name of 3,6-dithiophen-2-ylbenzene-1,2-diol?
The IUPAC name of 3,6-dithiophen-2-ylbenzene-1,2-diol (CID 122606222) is 3,6-dithiophen-2-ylbenzene-1,2-diol.
What is the SMILES notation for 3,6-dithiophen-2-ylbenzene-1,2-diol?
The canonical SMILES for 3,6-dithiophen-2-ylbenzene-1,2-diol is Oc1c(-c2cccs2)ccc(-c2cccs2)c1O.
What is the InChIKey of 3,6-dithiophen-2-ylbenzene-1,2-diol?
The InChIKey is HWSCPPXRSYKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S2/c15-13-9(11-3-1-7-17-11)5-6-10(14(13)16)12-4-2-8-18-12/h1-8,15-16H.
What are the key properties of 3,6-dithiophen-2-ylbenzene-1,2-diol?
3,6-dithiophen-2-ylbenzene-1,2-diol has a molecular weight of 274.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dithiophen-2-ylbenzene-1,2-diol is sourced from PubChem (CID 122606222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).