2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C15H20O2S — CID 78832622

IUPAC2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCSCCOC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O2S/c1-18-9-8-17-15(16)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyQMLMJSJMRHMLGI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.01
Rot. Bonds5

About 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 78832622) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID78832622
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCSCCOC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O2S/c1-18-9-8-17-15(16)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyQMLMJSJMRHMLGI-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8567316
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535682
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 143438083
(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535665
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 78832622) is 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CSCCOC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is QMLMJSJMRHMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-18-9-8-17-15(16)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 264.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 78832622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).