2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol

C12H16S2 — CID 117033721

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
SMILESSCCSc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H16S2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8H2
InChIKeyFNZIHVMRMSFFAW-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.59
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol

2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol (PubChem CID 117033721) has the molecular formula C12H16S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
PubChem CID117033721
Molecular FormulaC12H16S2
Molecular Weight224.39 g/mol
Exact Mass224.07
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
SMILESSCCSc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H16S2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8H2
InChIKeyFNZIHVMRMSFFAW-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorobutylsulfanyl)-2,3-dihydro-1H-indene
CID 63499850
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)hexan-3-one
CID 104623542
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
CID 117032101
2-bromo-N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]aniline
CID 63516615
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 62576543
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
CID 63033798
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)cyclopropan-1-amine
CID 117035846
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]aniline
CID 63516616
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol (CID 117033721) is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol is SCCSc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol?
The InChIKey is FNZIHVMRMSFFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol?
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol has a molecular weight of 224.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol is sourced from PubChem (CID 117033721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).