(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol

C12H10O2S — CID 102015309

IUPAC(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
SMILESO[C@@H]1C=Cc2c(ccc3ccsc23)[C@H]1O
InChIInChI=1S/C12H10O2S/c13-10-4-3-9-8(11(10)14)2-1-7-5-6-15-12(7)9/h1-6,10-11,13-14H/t10-,11-/m1/s1
InChIKeyALGPRUOFHOBPMX-GHMZBOCLSA-N
MW218.28 g/mol
LogP2.32
Rot. Bonds

About (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol

(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol (PubChem CID 102015309) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol.

Molecular Properties

Compound Name(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
PubChem CID102015309
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
SMILESO[C@@H]1C=Cc2c(ccc3ccsc23)[C@H]1O
InChIInChI=1S/C12H10O2S/c13-10-4-3-9-8(11(10)14)2-1-7-5-6-15-12(7)9/h1-6,10-11,13-14H/t10-,11-/m1/s1
InChIKeyALGPRUOFHOBPMX-GHMZBOCLSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol with MolForge

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Related Compounds

(7R,8R,18S,19S)-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,10,12,15,17(22),20-nonaene-7,8,18,19-tetrol
CID 10712585
1-benzothiophene-6,7-diol
CID 57172038
2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
CID 53375196
ethane;7-methyl-1-benzothiophene
CID 143012583
benzo[g][1]benzothiol-6-ylboronic acid
CID 171854416
(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol
CID 11777698
(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
6,6-dimethoxybenzo[g][1]benzothiol-7-one
CID 10635082
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
2-(1-benzothiophen-7-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90050385
6,7-dimethoxy-1-benzothiophene
CID 23321121
ethane;2-methylthieno[3,2-g][1]benzothiole
CID 145022999

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol?
The IUPAC name of (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol (CID 102015309) is (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol.
What is the SMILES notation for (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol?
The canonical SMILES for (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol is O[C@@H]1C=Cc2c(ccc3ccsc23)[C@H]1O.
What is the InChIKey of (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol?
The InChIKey is ALGPRUOFHOBPMX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H10O2S/c13-10-4-3-9-8(11(10)14)2-1-7-5-6-15-12(7)9/h1-6,10-11,13-14H/t10-,11-/m1/s1.
What are the key properties of (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol?
(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol has a molecular weight of 218.28 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol is sourced from PubChem (CID 102015309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).