(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one

C17H12OS — CID 134970084

IUPAC(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
SMILESO=C1C[C@H](c2ccccc2)c2c1sc1ccccc21
InChIInChI=1S/C17H12OS/c18-14-10-13(11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)19-17(14)16/h1-9,13H,10H2/t13-/m1/s1
InChIKeyLDZCGVUWENZDLG-CYBMUJFWSA-N
MW264.35 g/mol
LogP4.62
Rot. Bonds1

About (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one

(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one (PubChem CID 134970084) has the molecular formula C17H12OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one.

Molecular Properties

Compound Name(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
PubChem CID134970084
Molecular FormulaC17H12OS
Molecular Weight264.35 g/mol
Exact Mass264.06
IUPAC Name(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
SMILESO=C1C[C@H](c2ccccc2)c2c1sc1ccccc21
InChIInChI=1S/C17H12OS/c18-14-10-13(11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)19-17(14)16/h1-9,13H,10H2/t13-/m1/s1
InChIKeyLDZCGVUWENZDLG-CYBMUJFWSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-triphenyl-2,3-dihydrocyclopenta[b][1]benzothiole
CID 164519435
(1S,2E)-1-phenyl-2-[(4-phenylphenyl)methylidene]-1H-cyclopenta[b][1]benzothiol-3-one
CID 134852216
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
[1]benzothiolo[3,2-b]furan-3-one
CID 14958806
(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one
CID 23726934
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
3-phenyl-16-thia-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,6,8,10,12,14-hexaene
CID 118262871
N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethyl-λ4-sulfanyl]aniline
CID 130441176
2-cyclopropyl-3-iodo-1-benzothiophene
CID 151628210
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2-methyl-2-oxido-1-phenyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 12666898

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one?
The IUPAC name of (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one (CID 134970084) is (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one.
What is the SMILES notation for (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one?
The canonical SMILES for (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one is O=C1C[C@H](c2ccccc2)c2c1sc1ccccc21.
What is the InChIKey of (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one?
The InChIKey is LDZCGVUWENZDLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H12OS/c18-14-10-13(11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)19-17(14)16/h1-9,13H,10H2/t13-/m1/s1.
What are the key properties of (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one?
(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one has a molecular weight of 264.35 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one is sourced from PubChem (CID 134970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).