1-tert-butylsulfinyl-2-chloronaphthalene

C14H15ClOS — CID 10611845

IUPAC1-tert-butylsulfinyl-2-chloronaphthalene
SMILESCC(C)(C)S(=O)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C14H15ClOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3
InChIKeyHSLNUMILYYIMSR-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.40
Rot. Bonds1

About 1-tert-butylsulfinyl-2-chloronaphthalene

1-tert-butylsulfinyl-2-chloronaphthalene (PubChem CID 10611845) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-2-chloronaphthalene.

Molecular Properties

Compound Name1-tert-butylsulfinyl-2-chloronaphthalene
PubChem CID10611845
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name1-tert-butylsulfinyl-2-chloronaphthalene
SMILESCC(C)(C)S(=O)c1c(Cl)ccc2ccccc12
InChIInChI=1S/C14H15ClOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3
InChIKeyHSLNUMILYYIMSR-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-2-chloronaphthalene?
The IUPAC name of 1-tert-butylsulfinyl-2-chloronaphthalene (CID 10611845) is 1-tert-butylsulfinyl-2-chloronaphthalene.
What is the SMILES notation for 1-tert-butylsulfinyl-2-chloronaphthalene?
The canonical SMILES for 1-tert-butylsulfinyl-2-chloronaphthalene is CC(C)(C)S(=O)c1c(Cl)ccc2ccccc12.
What is the InChIKey of 1-tert-butylsulfinyl-2-chloronaphthalene?
The InChIKey is HSLNUMILYYIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3.
What are the key properties of 1-tert-butylsulfinyl-2-chloronaphthalene?
1-tert-butylsulfinyl-2-chloronaphthalene has a molecular weight of 266.79 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinyl-2-chloronaphthalene is sourced from PubChem (CID 10611845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).