2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol

C15H18S — CID 116866524

IUPAC2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol
SMILESCc1ccc2cc(C(C)(C)CS)ccc2c1
InChIInChI=1S/C15H18S/c1-11-4-5-13-9-14(15(2,3)10-16)7-6-12(13)8-11/h4-9,16H,10H2,1-3H3
InChIKeyUXQABMGSUIMAAD-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.36
Rot. Bonds2

About 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol

2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol (PubChem CID 116866524) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol.

Molecular Properties

Compound Name2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol
PubChem CID116866524
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol
SMILESCc1ccc2cc(C(C)(C)CS)ccc2c1
InChIInChI=1S/C15H18S/c1-11-4-5-13-9-14(15(2,3)10-16)7-6-12(13)8-11/h4-9,16H,10H2,1-3H3
InChIKeyUXQABMGSUIMAAD-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol?
The IUPAC name of 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol (CID 116866524) is 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol.
What is the SMILES notation for 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol?
The canonical SMILES for 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol is Cc1ccc2cc(C(C)(C)CS)ccc2c1.
What is the InChIKey of 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol?
The InChIKey is UXQABMGSUIMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-11-4-5-13-9-14(15(2,3)10-16)7-6-12(13)8-11/h4-9,16H,10H2,1-3H3.
What are the key properties of 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol?
2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol has a molecular weight of 230.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol is sourced from PubChem (CID 116866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).