3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol

C16H12O2S — CID 14709452

IUPAC3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
SMILESOC1C=Cc2c(ccc3c2sc2ccccc23)C1O
InChIInChI=1S/C16H12O2S/c17-13-8-7-12-10(15(13)18)5-6-11-9-3-1-2-4-14(9)19-16(11)12/h1-8,13,15,17-18H
InChIKeyOQXZFINLNQJALO-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.48
Rot. Bonds

About 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol

3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol (PubChem CID 14709452) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol.

Molecular Properties

Compound Name3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
PubChem CID14709452
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
SMILESOC1C=Cc2c(ccc3c2sc2ccccc23)C1O
InChIInChI=1S/C16H12O2S/c17-13-8-7-12-10(15(13)18)5-6-11-9-3-1-2-4-14(9)19-16(11)12/h1-8,13,15,17-18H
InChIKeyOQXZFINLNQJALO-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
CID 14709454
(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol
CID 10500935
(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
CID 102015309
4-cyclopropyldibenzothiophene
CID 54752889
(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol
CID 15418685
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
CID 70969362
CID 70969362
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
3,3-diphenyl-[1]benzothiolo[2,3-f]chromene
CID 101162199
bis(dibenzothiophene);ethane
CID 143921746
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol?
The IUPAC name of 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol (CID 14709452) is 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol.
What is the SMILES notation for 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol?
The canonical SMILES for 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol is OC1C=Cc2c(ccc3c2sc2ccccc23)C1O.
What is the InChIKey of 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol?
The InChIKey is OQXZFINLNQJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-13-8-7-12-10(15(13)18)5-6-11-9-3-1-2-4-14(9)19-16(11)12/h1-8,13,15,17-18H.
What are the key properties of 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol?
3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol has a molecular weight of 268.34 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol is sourced from PubChem (CID 14709452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).