2-naphthalen-1-ylsulfanylethanol

C12H12OS — CID 11321673

IUPAC2-naphthalen-1-ylsulfanylethanol
SMILESOCCSc1cccc2ccccc12
InChIInChI=1S/C12H12OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeySBIFIOOOWZJKPE-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.92
Rot. Bonds3

About 2-naphthalen-1-ylsulfanylethanol

2-naphthalen-1-ylsulfanylethanol (PubChem CID 11321673) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylethanol.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylethanol
PubChem CID11321673
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-naphthalen-1-ylsulfanylethanol
SMILESOCCSc1cccc2ccccc12
InChIInChI=1S/C12H12OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeySBIFIOOOWZJKPE-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylethanol?
The IUPAC name of 2-naphthalen-1-ylsulfanylethanol (CID 11321673) is 2-naphthalen-1-ylsulfanylethanol.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylethanol?
The canonical SMILES for 2-naphthalen-1-ylsulfanylethanol is OCCSc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanylethanol?
The InChIKey is SBIFIOOOWZJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2.
What are the key properties of 2-naphthalen-1-ylsulfanylethanol?
2-naphthalen-1-ylsulfanylethanol has a molecular weight of 204.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylethanol is sourced from PubChem (CID 11321673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).