2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene

C14H15BrOS — CID 10662790

IUPAC2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene
SMILESCC(C)(C)[S@@](=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C14H15BrOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3/t17-/m0/s1
InChIKeyRLYLWKPWMADUCT-KRWDZBQOSA-N
MW311.24 g/mol
LogP4.51
Rot. Bonds1

About 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene

2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene (PubChem CID 10662790) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene.

Molecular Properties

Compound Name2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene
PubChem CID10662790
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene
SMILESCC(C)(C)[S@@](=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C14H15BrOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3/t17-/m0/s1
InChIKeyRLYLWKPWMADUCT-KRWDZBQOSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-6-methoxybenzo[7]annulen-5-one
CID 121010887
2-methyl-1-propan-2-ylsulfinylnaphthalene
CID 15653775
(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 87427277
N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 67510993
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
CID 163788130
2-bromonaphthalen-1-amine
CID 10889478
2-bromonaphthalene-1-carbonyl chloride;ethane
CID 144648611
2-bromonaphthalen-1-ol;methoxymethane
CID 174734204
9-methylsulfinylanthracene
CID 10847646
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
2-bromonaphthalene-1-sulfonate
CID 4608658

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene?
The IUPAC name of 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene (CID 10662790) is 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene.
What is the SMILES notation for 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene?
The canonical SMILES for 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene is CC(C)(C)[S@@](=O)c1c(Br)ccc2ccccc12.
What is the InChIKey of 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene?
The InChIKey is RLYLWKPWMADUCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-14(2,3)17(16)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,1-3H3/t17-/m0/s1.
What are the key properties of 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene?
2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene has a molecular weight of 311.24 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene is sourced from PubChem (CID 10662790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).