2,3-dihydro-1,4-benzodithiin-6-ol

C8H8OS2 — CID 71329679

IUPAC2,3-dihydro-1,4-benzodithiin-6-ol
SMILESOc1ccc2c(c1)SCCS2
InChIInChI=1S/C8H8OS2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKeyUJGSXUXLWKNZNF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.59
Rot. Bonds

About 2,3-dihydro-1,4-benzodithiin-6-ol

2,3-dihydro-1,4-benzodithiin-6-ol (PubChem CID 71329679) has the molecular formula C8H8OS2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodithiin-6-ol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodithiin-6-ol
PubChem CID71329679
Molecular FormulaC8H8OS2
Molecular Weight184.28 g/mol
Exact Mass184.00
IUPAC Name2,3-dihydro-1,4-benzodithiin-6-ol
SMILESOc1ccc2c(c1)SCCS2
InChIInChI=1S/C8H8OS2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKeyUJGSXUXLWKNZNF-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-5-ol
CID 11367101
2,3,4,5-tetrahydro-1-benzothiepin-7-ol
CID 19261834
(3R)-3-methyl-2,3-dihydro-1,4-benzodithiin-6-ol
CID 142819130
1-(2,3-dihydro-1,4-benzodithiin-6-yl)ethanone
CID 19935487
5-(2-aminoethyl)-2,3,4,5-tetrahydro-1-benzothiepin-7-ol
CID 82391933
1-(7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propane-1,2-dione
CID 58344323
[(E)-(6-hydroxy-2,3-dihydrothiochromen-4-ylidene)amino]thiourea
CID 70684341
4H-1,3-benzothiazin-6-ol
CID 57141293
tert-butyl 7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate;ethane
CID 143416855
benzene-1,3,5-triol
CID 359
3-(cyclopropylamino)-3,4-dihydro-2H-thiochromen-6-ol
CID 83838493
3-cyclopentyl-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 142818571

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodithiin-6-ol?
The IUPAC name of 2,3-dihydro-1,4-benzodithiin-6-ol (CID 71329679) is 2,3-dihydro-1,4-benzodithiin-6-ol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodithiin-6-ol?
The canonical SMILES for 2,3-dihydro-1,4-benzodithiin-6-ol is Oc1ccc2c(c1)SCCS2.
What is the InChIKey of 2,3-dihydro-1,4-benzodithiin-6-ol?
The InChIKey is UJGSXUXLWKNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2.
What are the key properties of 2,3-dihydro-1,4-benzodithiin-6-ol?
2,3-dihydro-1,4-benzodithiin-6-ol has a molecular weight of 184.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodithiin-6-ol is sourced from PubChem (CID 71329679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).