1-tert-butylsulfanylnaphthalene

C14H16S — CID 1270475

IUPAC1-tert-butylsulfanylnaphthalene
SMILESCC(C)(C)Sc1cccc2ccccc12
InChIInChI=1S/C14H16S/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyKDEVZAOYVIVZQK-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.73
Rot. Bonds1

About 1-tert-butylsulfanylnaphthalene

1-tert-butylsulfanylnaphthalene (PubChem CID 1270475) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-tert-butylsulfanylnaphthalene.

Molecular Properties

Compound Name1-tert-butylsulfanylnaphthalene
PubChem CID1270475
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name1-tert-butylsulfanylnaphthalene
SMILESCC(C)(C)Sc1cccc2ccccc12
InChIInChI=1S/C14H16S/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyKDEVZAOYVIVZQK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanylnaphthalene?
The IUPAC name of 1-tert-butylsulfanylnaphthalene (CID 1270475) is 1-tert-butylsulfanylnaphthalene.
What is the SMILES notation for 1-tert-butylsulfanylnaphthalene?
The canonical SMILES for 1-tert-butylsulfanylnaphthalene is CC(C)(C)Sc1cccc2ccccc12.
What is the InChIKey of 1-tert-butylsulfanylnaphthalene?
The InChIKey is KDEVZAOYVIVZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3.
What are the key properties of 1-tert-butylsulfanylnaphthalene?
1-tert-butylsulfanylnaphthalene has a molecular weight of 216.35 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylnaphthalene is sourced from PubChem (CID 1270475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).