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

C16H12O2S — CID 14709454

IUPAC1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
SMILESOC1C=Cc2ccc3c(sc4ccccc43)c2C1O
InChIInChI=1S/C16H12O2S/c17-12-8-6-9-5-7-11-10-3-1-2-4-13(10)19-16(11)14(9)15(12)18/h1-8,12,15,17-18H
InChIKeyBYFVXOICIXESGI-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.48
Rot. Bonds

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

1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol (PubChem CID 14709454) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol.

Molecular Properties

Compound Name1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
PubChem CID14709454
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
SMILESOC1C=Cc2ccc3c(sc4ccccc43)c2C1O
InChIInChI=1S/C16H12O2S/c17-12-8-6-9-5-7-11-10-3-1-2-4-13(10)19-16(11)14(9)15(12)18/h1-8,12,15,17-18H
InChIKeyBYFVXOICIXESGI-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

3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
CID 14709452
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
(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol
CID 100980878
bis(dibenzothiophene);ethane
CID 143921746
3-chlorodibenzothiophen-4-ol
CID 901536
dibenzothiophene;methane
CID 162233710
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
CID 70969362
CID 70969362
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol?
The IUPAC name of 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol (CID 14709454) is 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol.
What is the SMILES notation for 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol?
The canonical SMILES for 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol is OC1C=Cc2ccc3c(sc4ccccc43)c2C1O.
What is the InChIKey of 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol?
The InChIKey is BYFVXOICIXESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-12-8-6-9-5-7-11-10-3-1-2-4-13(10)19-16(11)14(9)15(12)18/h1-8,12,15,17-18H.
What are the key properties of 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol?
1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-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 1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol is sourced from PubChem (CID 14709454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).