2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene

C18H18S2 — CID 79322659

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)CC(CSc1ccc3c(c1)CCC3)S2
InChIInChI=1S/C18H18S2/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-10,17H,3,5-6,11-12H2
InChIKeyQZDMNRZIXQTCCZ-UHFFFAOYSA-N
MW298.48 g/mol
LogP4.98
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene

2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene (PubChem CID 79322659) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
PubChem CID79322659
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)CC(CSc1ccc3c(c1)CCC3)S2
InChIInChI=1S/C18H18S2/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-10,17H,3,5-6,11-12H2
InChIKeyQZDMNRZIXQTCCZ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 79205934
4-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)thiophene-2-carboxylic acid
CID 79213280
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyrimidine
CID 79326097
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79408103
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
2-[(3-methylcyclohexyl)sulfanylmethyl]-2,3-dihydro-1-benzothiophene
CID 79325761
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325640
3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
CID 79327324
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-6-methylaniline
CID 79222595
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene (CID 79322659) is 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene is c1ccc2c(c1)CC(CSc1ccc3c(c1)CCC3)S2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene?
The InChIKey is QZDMNRZIXQTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S2/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-10,17H,3,5-6,11-12H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene?
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene has a molecular weight of 298.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79322659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).