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

C12H16S — CID 130736237

IUPAC2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCSCC1CCc2ccccc2C1
InChIInChI=1S/C12H16S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-5,10H,6-9H2,1H3
InChIKeyBYLFDCXVORCDPI-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.15
Rot. Bonds2

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

2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 130736237) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID130736237
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCSCC1CCc2ccccc2C1
InChIInChI=1S/C12H16S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-5,10H,6-9H2,1H3
InChIKeyBYLFDCXVORCDPI-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
CID 143252120
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
CID 15752629
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
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
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
N,1-dimethyl-N-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-amine
CID 29185164
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene (CID 130736237) is 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene is CSCC1CCc2ccccc2C1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BYLFDCXVORCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene?
2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 192.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130736237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).