1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol

C21H16S — CID 101171710

IUPAC1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol
SMILESCc1ccc2ccccc2c1-c1c(S)ccc2ccccc12
InChIInChI=1S/C21H16S/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,22H,1H3
InChIKeyWMIFTBSVAAXXTB-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.26
Rot. Bonds1

About 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol

1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol (PubChem CID 101171710) has the molecular formula C21H16S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol
PubChem CID101171710
Molecular FormulaC21H16S
Molecular Weight300.43 g/mol
Exact Mass300.10
IUPAC Name1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol
SMILESCc1ccc2ccccc2c1-c1c(S)ccc2ccccc12
InChIInChI=1S/C21H16S/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,22H,1H3
InChIKeyWMIFTBSVAAXXTB-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol (CID 101171710) is 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol is Cc1ccc2ccccc2c1-c1c(S)ccc2ccccc12.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol?
The InChIKey is WMIFTBSVAAXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16S/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,22H,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol?
1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol has a molecular weight of 300.43 g/mol, XLogP of 6.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)naphthalene-2-thiol is sourced from PubChem (CID 101171710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).