2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane

C20H22S — CID 139501030

IUPAC2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane
SMILESCS(C)(C1=CCc2ccccc21)C1CCc2ccccc21
InChIInChI=1S/C20H22S/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3-10,13,20H,11-12,14H2,1-2H3
InChIKeyKPAAHZVALXZMDC-UHFFFAOYSA-N
MW294.46 g/mol
LogP5.34
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane

2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane (PubChem CID 139501030) has the molecular formula C20H22S and a molecular weight of 294.46 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane
PubChem CID139501030
Molecular FormulaC20H22S
Molecular Weight294.46 g/mol
Exact Mass294.14
IUPAC Name2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane
SMILESCS(C)(C1=CCc2ccccc21)C1CCc2ccccc21
InChIInChI=1S/C20H22S/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3-10,13,20H,11-12,14H2,1-2H3
InChIKeyKPAAHZVALXZMDC-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;3-methylsulfonyl-1H-indene
CID 160773183
CID 135046561
CID 135046561
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CID 57317290
2,3-dihydro-1H-inden-1-amine;methanamine
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tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene
CID 101422795
2-(2,3-dihydro-1H-inden-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122382852
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
ethane;3-methyl-1H-indene
CID 90920725
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CID 79725685
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
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(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane (CID 139501030) is 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane is CS(C)(C1=CCc2ccccc21)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane?
The InChIKey is KPAAHZVALXZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3-10,13,20H,11-12,14H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane?
2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane has a molecular weight of 294.46 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(3H-inden-1-yl)-dimethyl-λ4-sulfane is sourced from PubChem (CID 139501030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).