1,3-bis(ethylsulfanyl)-1H-indene

C13H16S2 — CID 101365630

IUPAC1,3-bis(ethylsulfanyl)-1H-indene
SMILESCCSC1=CC(SCC)c2ccccc21
InChIInChI=1S/C13H16S2/c1-3-14-12-9-13(15-4-2)11-8-6-5-7-10(11)12/h5-9,12H,3-4H2,1-2H3
InChIKeyWGABHEORFBLZAX-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.59
Rot. Bonds4

About 1,3-bis(ethylsulfanyl)-1H-indene

1,3-bis(ethylsulfanyl)-1H-indene (PubChem CID 101365630) has the molecular formula C13H16S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,3-bis(ethylsulfanyl)-1H-indene.

Molecular Properties

Compound Name1,3-bis(ethylsulfanyl)-1H-indene
PubChem CID101365630
Molecular FormulaC13H16S2
Molecular Weight236.40 g/mol
Exact Mass236.07
IUPAC Name1,3-bis(ethylsulfanyl)-1H-indene
SMILESCCSC1=CC(SCC)c2ccccc21
InChIInChI=1S/C13H16S2/c1-3-14-12-9-13(15-4-2)11-8-6-5-7-10(11)12/h5-9,12H,3-4H2,1-2H3
InChIKeyWGABHEORFBLZAX-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(methylsulfanyl)-1H-indene
CID 132566365
lithium 9-ethyl-9H-fluorene
CID 23225742
N,N-diethyl-9H-fluoren-9-amine
CID 11481796
9-nonyl-9H-fluorene
CID 22568532
trimethyl-(3-methylsulfanyl-1H-inden-1-yl)silane
CID 135047198
1-ethyl-2-methyl-1H-indene
CID 12910549
1-ethyl-3-iodo-2-phenyl-1H-indene
CID 134982592
1,2-diethyl-1H-indene
CID 54262428
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
3-butyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)sulfanyl-1H-indene
CID 139502762
2-cyclopropyl-6-ethylsulfanylaniline
CID 142320158
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethylsulfanyl)-1H-indene?
The IUPAC name of 1,3-bis(ethylsulfanyl)-1H-indene (CID 101365630) is 1,3-bis(ethylsulfanyl)-1H-indene.
What is the SMILES notation for 1,3-bis(ethylsulfanyl)-1H-indene?
The canonical SMILES for 1,3-bis(ethylsulfanyl)-1H-indene is CCSC1=CC(SCC)c2ccccc21.
What is the InChIKey of 1,3-bis(ethylsulfanyl)-1H-indene?
The InChIKey is WGABHEORFBLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S2/c1-3-14-12-9-13(15-4-2)11-8-6-5-7-10(11)12/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(ethylsulfanyl)-1H-indene?
1,3-bis(ethylsulfanyl)-1H-indene has a molecular weight of 236.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethylsulfanyl)-1H-indene is sourced from PubChem (CID 101365630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).