2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene

C13H18S — CID 143252120

IUPAC2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCSCCC1CCc2ccccc2C1
InChIInChI=1S/C13H18S/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11/h2-5,11H,6-10H2,1H3
InChIKeyWXIBRSJUKGMHPT-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene

2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 143252120) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID143252120
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCSCCC1CCc2ccccc2C1
InChIInChI=1S/C13H18S/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11/h2-5,11H,6-10H2,1H3
InChIKeyWXIBRSJUKGMHPT-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 130736237
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
CID 15752629
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 142185328
(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 129383765
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
N,1-dimethyl-N-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-amine
CID 29185164
2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 143154179

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene (CID 143252120) is 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene is CSCCC1CCc2ccccc2C1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WXIBRSJUKGMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene?
2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 206.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143252120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).