3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

C13H18OS — CID 116830936

IUPAC3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESOC(CCS)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18OS/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13-15H,1-4,7-8H2
InChIKeyDGORHGXYFAABIS-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.92
Rot. Bonds3

About 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 116830936) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID116830936
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESOC(CCS)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18OS/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13-15H,1-4,7-8H2
InChIKeyDGORHGXYFAABIS-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116831085
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
sodium 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoate
CID 23703653
1-(2,3-dihydro-1H-inden-5-yl)-3-(furan-2-yl)propan-1-ol
CID 114195082
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (CID 116830936) is 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is OC(CCS)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is DGORHGXYFAABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13-15H,1-4,7-8H2.
What are the key properties of 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 116830936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).