7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione

C10H8O2S — CID 146570561

IUPAC7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione
SMILESS=c1oc2ccc3c(c2o1)CCC3
InChIInChI=1S/C10H8O2S/c13-10-11-8-5-4-6-2-1-3-7(6)9(8)12-10/h4-5H,1-3H2
InChIKeyLNBBUSKTGAXZES-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.24
Rot. Bonds

About 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione

7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione (PubChem CID 146570561) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione.

Molecular Properties

Compound Name7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione
PubChem CID146570561
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione
SMILESS=c1oc2ccc3c(c2o1)CCC3
InChIInChI=1S/C10H8O2S/c13-10-11-8-5-4-6-2-1-3-7(6)9(8)12-10/h4-5H,1-3H2
InChIKeyLNBBUSKTGAXZES-UHFFFAOYSA-N
XLogP3.24
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

8,9-dihydro-7H-cyclopenta[h]chromen-2-one
CID 141136737
15,16-dihydroxy-12,19-dioxahexacyclo[18.8.0.02,11.03,8.013,18.023,28]octacosa-1(20),2(11),3(8),9,13(18),14,16,21,23(28)-nonaene-14,17-dicarbonitrile
CID 170201089
5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-amine
CID 147187055
3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran
CID 176741772
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206
1,7,8,9-tetrahydrocyclopenta[h]isochromene
CID 142535471
4-(4-methyl-2,3-dihydro-1H-inden-5-yl)oxane
CID 156857522
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795
4-oxatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-3,5-dione
CID 101490338
4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran
CID 159576995
5,6,7,8-tetrahydronaphthalene-1,2-dithiol
CID 154521771

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione?
The IUPAC name of 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione (CID 146570561) is 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione.
What is the SMILES notation for 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione?
The canonical SMILES for 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione is S=c1oc2ccc3c(c2o1)CCC3.
What is the InChIKey of 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione?
The InChIKey is LNBBUSKTGAXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c13-10-11-8-5-4-6-2-1-3-7(6)9(8)12-10/h4-5H,1-3H2.
What are the key properties of 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione?
7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione has a molecular weight of 192.24 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione is sourced from PubChem (CID 146570561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).