2-methylsulfanyl-3-phenyl-1H-indene

C16H14S — CID 5133022

IUPAC2-methylsulfanyl-3-phenyl-1H-indene
SMILESCSC1=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H14S/c1-17-15-11-13-9-5-6-10-14(13)16(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBYFXNFURZGCASD-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.37
Rot. Bonds2

About 2-methylsulfanyl-3-phenyl-1H-indene

2-methylsulfanyl-3-phenyl-1H-indene (PubChem CID 5133022) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenyl-1H-indene.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenyl-1H-indene
PubChem CID5133022
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name2-methylsulfanyl-3-phenyl-1H-indene
SMILESCSC1=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H14S/c1-17-15-11-13-9-5-6-10-14(13)16(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBYFXNFURZGCASD-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylsulfanyl-4-phenyl-1,2-dihydronaphthalene
CID 164667981
2-cyclopropyl-3-phenyl-1H-indene
CID 134995236
chloro-dimethyl-(3-phenyl-1H-inden-2-yl)silane
CID 142448788
phenyl-(3-phenyl-1H-inden-2-yl)iodanium
CID 102073091
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
3-phenyl-1H-indene-2-carboxylate
CID 23222406
10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
CID 154436056
7-phenyl-12H-pyrido[2,1-b][3]benzazepin-5-ium-6-amine
CID 163997243
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
3-(2-methyl-3H-inden-1-yl)thiophene
CID 90234103
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1,1'-biphenyl;9H-fluorene;phenol
CID 161306435

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenyl-1H-indene?
The IUPAC name of 2-methylsulfanyl-3-phenyl-1H-indene (CID 5133022) is 2-methylsulfanyl-3-phenyl-1H-indene.
What is the SMILES notation for 2-methylsulfanyl-3-phenyl-1H-indene?
The canonical SMILES for 2-methylsulfanyl-3-phenyl-1H-indene is CSC1=C(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 2-methylsulfanyl-3-phenyl-1H-indene?
The InChIKey is BYFXNFURZGCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-17-15-11-13-9-5-6-10-14(13)16(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-methylsulfanyl-3-phenyl-1H-indene?
2-methylsulfanyl-3-phenyl-1H-indene has a molecular weight of 238.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenyl-1H-indene is sourced from PubChem (CID 5133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).