2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol

C19H18OS — CID 142645134

IUPAC2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol
SMILESSCOCCc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H18OS/c21-14-20-12-11-16-6-3-4-8-19(16)18-10-9-15-5-1-2-7-17(15)13-18/h1-10,13,21H,11-12,14H2
InChIKeyIRQOIXGMGILGCB-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol

2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol (PubChem CID 142645134) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol
PubChem CID142645134
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol
SMILESSCOCCc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H18OS/c21-14-20-12-11-16-6-3-4-8-19(16)18-10-9-15-5-1-2-7-17(15)13-18/h1-10,13,21H,11-12,14H2
InChIKeyIRQOIXGMGILGCB-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol?
The IUPAC name of 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol (CID 142645134) is 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol.
What is the SMILES notation for 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol?
The canonical SMILES for 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol is SCOCCc1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol?
The InChIKey is IRQOIXGMGILGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c21-14-20-12-11-16-6-3-4-8-19(16)18-10-9-15-5-1-2-7-17(15)13-18/h1-10,13,21H,11-12,14H2.
What are the key properties of 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol?
2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol has a molecular weight of 294.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylphenyl)ethoxymethanethiol is sourced from PubChem (CID 142645134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).