2-methyl-2-naphthalen-2-ylpropane-1-thiol

C14H16S — CID 116866528

IUPAC2-methyl-2-naphthalen-2-ylpropane-1-thiol
SMILESCC(C)(CS)c1ccc2ccccc2c1
InChIInChI=1S/C14H16S/c1-14(2,10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,10H2,1-2H3
InChIKeyOEJOFGNAVUCOIZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.05
Rot. Bonds2

About 2-methyl-2-naphthalen-2-ylpropane-1-thiol

2-methyl-2-naphthalen-2-ylpropane-1-thiol (PubChem CID 116866528) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-ylpropane-1-thiol.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-ylpropane-1-thiol
PubChem CID116866528
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name2-methyl-2-naphthalen-2-ylpropane-1-thiol
SMILESCC(C)(CS)c1ccc2ccccc2c1
InChIInChI=1S/C14H16S/c1-14(2,10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,10H2,1-2H3
InChIKeyOEJOFGNAVUCOIZ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.05
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-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol
CID 116866524
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpropane-1-thiol
CID 163562027
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
CID 115217334
2-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 117048230
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
1-[[(2-methyl-2-naphthalen-2-ylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257167
3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
CID 167154926
trinaphthalen-2-ylmethanol
CID 10573628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-ylpropane-1-thiol?
The IUPAC name of 2-methyl-2-naphthalen-2-ylpropane-1-thiol (CID 116866528) is 2-methyl-2-naphthalen-2-ylpropane-1-thiol.
What is the SMILES notation for 2-methyl-2-naphthalen-2-ylpropane-1-thiol?
The canonical SMILES for 2-methyl-2-naphthalen-2-ylpropane-1-thiol is CC(C)(CS)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-2-naphthalen-2-ylpropane-1-thiol?
The InChIKey is OEJOFGNAVUCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-14(2,10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,10H2,1-2H3.
What are the key properties of 2-methyl-2-naphthalen-2-ylpropane-1-thiol?
2-methyl-2-naphthalen-2-ylpropane-1-thiol has a molecular weight of 216.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-ylpropane-1-thiol is sourced from PubChem (CID 116866528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).