(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole

C22H18S2 — CID 154713358

IUPAC(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole
SMILESc1cc2cc3c(cc2s1)CC[C@H]3[C@@H]1CCc2cc3sccc3cc21
InChIInChI=1S/C22H18S2/c1-3-17(19-9-15-5-7-23-21(15)11-13(1)19)18-4-2-14-12-22-16(6-8-24-22)10-20(14)18/h5-12,17-18H,1-4H2/t17-,18-/m0/s1
InChIKeyITKAGFUKZDDKFD-ROUUACIJSA-N
MW346.52 g/mol
LogP6.88
Rot. Bonds1

About (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole

(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole (PubChem CID 154713358) has the molecular formula C22H18S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole.

Molecular Properties

Compound Name(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole
PubChem CID154713358
Molecular FormulaC22H18S2
Molecular Weight346.52 g/mol
Exact Mass346.08
IUPAC Name(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole
SMILESc1cc2cc3c(cc2s1)CC[C@H]3[C@@H]1CCc2cc3sccc3cc21
InChIInChI=1S/C22H18S2/c1-3-17(19-9-15-5-7-23-21(15)11-13(1)19)18-4-2-14-12-22-16(6-8-24-22)10-20(14)18/h5-12,17-18H,1-4H2/t17-,18-/m0/s1
InChIKeyITKAGFUKZDDKFD-ROUUACIJSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole with MolForge

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Related Compounds

4,10,14-trithiatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene
CID 20731395
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
CID 43781963
7,20-dithiaheptacyclo[14.10.0.03,14.04,12.06,10.017,25.019,23]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene;propane
CID 142370528
thieno[3,2-f][2]benzofuran
CID 121459085
5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410946
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine
CID 43687824
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
5,6-ditert-butyl-1-benzothiophene
CID 58774764
triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,7,9,14,17,19-octaen-2-yl]ethynyl]silane
CID 132519403
5H-cyclohepta[f][1]benzothiole;ethane
CID 145308925
1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
CID 54513861

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole?
The IUPAC name of (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole (CID 154713358) is (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole.
What is the SMILES notation for (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole?
The canonical SMILES for (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole is c1cc2cc3c(cc2s1)CC[C@H]3[C@@H]1CCc2cc3sccc3cc21.
What is the InChIKey of (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole?
The InChIKey is ITKAGFUKZDDKFD-ROUUACIJSA-N. The full InChI is InChI=1S/C22H18S2/c1-3-17(19-9-15-5-7-23-21(15)11-13(1)19)18-4-2-14-12-22-16(6-8-24-22)10-20(14)18/h5-12,17-18H,1-4H2/t17-,18-/m0/s1.
What are the key properties of (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole?
(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole has a molecular weight of 346.52 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole is sourced from PubChem (CID 154713358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).