2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol

C14H20S — CID 170048943

IUPAC2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol
SMILESCC1CC(CCS)c2ccccc2C1C
InChIInChI=1S/C14H20S/c1-10-9-12(7-8-15)14-6-4-3-5-13(14)11(10)2/h3-6,10-12,15H,7-9H2,1-2H3
InChIKeyYJLVQDMIAIEHEH-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.23
Rot. Bonds2

About 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol

2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol (PubChem CID 170048943) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol
PubChem CID170048943
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol
SMILESCC1CC(CCS)c2ccccc2C1C
InChIInChI=1S/C14H20S/c1-10-9-12(7-8-15)14-6-4-3-5-13(14)11(10)2/h3-6,10-12,15H,7-9H2,1-2H3
InChIKeyYJLVQDMIAIEHEH-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,4S)-4-[(2R)-butan-2-yl]-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 123233367
1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine
CID 139550944
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
2-(11-ethanimidoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)ethanethiol
CID 123381341
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 143829335

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol?
The IUPAC name of 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol (CID 170048943) is 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol.
What is the SMILES notation for 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol?
The canonical SMILES for 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol is CC1CC(CCS)c2ccccc2C1C.
What is the InChIKey of 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol?
The InChIKey is YJLVQDMIAIEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-10-9-12(7-8-15)14-6-4-3-5-13(14)11(10)2/h3-6,10-12,15H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol?
2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol has a molecular weight of 220.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanethiol is sourced from PubChem (CID 170048943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).