2-(2-naphthalen-2-ylphenyl)ethanethiol

C18H16S — CID 176904325

IUPAC2-(2-naphthalen-2-ylphenyl)ethanethiol
SMILESSCCc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H16S/c19-12-11-15-6-3-4-8-18(15)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13,19H,11-12H2
InChIKeyAKZVFUWVCLJRJH-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.98
Rot. Bonds3

About 2-(2-naphthalen-2-ylphenyl)ethanethiol

2-(2-naphthalen-2-ylphenyl)ethanethiol (PubChem CID 176904325) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylphenyl)ethanethiol.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylphenyl)ethanethiol
PubChem CID176904325
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name2-(2-naphthalen-2-ylphenyl)ethanethiol
SMILESSCCc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H16S/c19-12-11-15-6-3-4-8-18(15)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13,19H,11-12H2
InChIKeyAKZVFUWVCLJRJH-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.98
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

2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol
CID 142645134
2-(2-butylphenyl)naphthalene
CID 58626566
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
CID 67159688
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
2-naphthalen-1-ylanthracene
CID 2748705
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylphenyl)ethanethiol?
The IUPAC name of 2-(2-naphthalen-2-ylphenyl)ethanethiol (CID 176904325) is 2-(2-naphthalen-2-ylphenyl)ethanethiol.
What is the SMILES notation for 2-(2-naphthalen-2-ylphenyl)ethanethiol?
The canonical SMILES for 2-(2-naphthalen-2-ylphenyl)ethanethiol is SCCc1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylphenyl)ethanethiol?
The InChIKey is AKZVFUWVCLJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c19-12-11-15-6-3-4-8-18(15)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13,19H,11-12H2.
What are the key properties of 2-(2-naphthalen-2-ylphenyl)ethanethiol?
2-(2-naphthalen-2-ylphenyl)ethanethiol has a molecular weight of 264.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylphenyl)ethanethiol is sourced from PubChem (CID 176904325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).