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

C11H12S2 — CID 132566365

IUPAC1,3-bis(methylsulfanyl)-1H-indene
SMILESCSC1=CC(SC)c2ccccc21
InChIInChI=1S/C11H12S2/c1-12-10-7-11(13-2)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKeyMXPXJESFUYVLFX-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.81
Rot. Bonds2

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

1,3-bis(methylsulfanyl)-1H-indene (PubChem CID 132566365) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,3-bis(methylsulfanyl)-1H-indene.

Molecular Properties

Compound Name1,3-bis(methylsulfanyl)-1H-indene
PubChem CID132566365
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name1,3-bis(methylsulfanyl)-1H-indene
SMILESCSC1=CC(SC)c2ccccc21
InChIInChI=1S/C11H12S2/c1-12-10-7-11(13-2)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChIKeyMXPXJESFUYVLFX-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-(3-methylsulfanyl-1H-inden-1-yl)silane
CID 135047198
1,3-bis(ethylsulfanyl)-1H-indene
CID 101365630
lithium 9-ethyl-9H-fluorene
CID 23225742
2-(2-methylsulfanylphenyl)indene-1,3-dione
CID 86717346
6-methylsulfanyl-6H-benzo[c]thiochromene
CID 146587506
(4S)-1-methyl-4-methylsulfanyl-2,4-dihydro-1H-isoquinolin-3-one
CID 54101567
9-deuterio-9-methylfluorene
CID 169301704
1,3-dimethyl-1H-indene;ethane
CID 90859449
CID 18430512
CID 18430512
3-methyl-2,3-dihydroisoindole-1-thione
CID 102444637
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methylsulfanyl)-1H-indene?
The IUPAC name of 1,3-bis(methylsulfanyl)-1H-indene (CID 132566365) is 1,3-bis(methylsulfanyl)-1H-indene.
What is the SMILES notation for 1,3-bis(methylsulfanyl)-1H-indene?
The canonical SMILES for 1,3-bis(methylsulfanyl)-1H-indene is CSC1=CC(SC)c2ccccc21.
What is the InChIKey of 1,3-bis(methylsulfanyl)-1H-indene?
The InChIKey is MXPXJESFUYVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-12-10-7-11(13-2)9-6-4-3-5-8(9)10/h3-7,10H,1-2H3.
What are the key properties of 1,3-bis(methylsulfanyl)-1H-indene?
1,3-bis(methylsulfanyl)-1H-indene has a molecular weight of 208.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methylsulfanyl)-1H-indene is sourced from PubChem (CID 132566365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).