1-butan-2-ylsulfanylnaphthalene

C14H16S — CID 46892889

IUPAC1-butan-2-ylsulfanylnaphthalene
SMILESCCC(C)Sc1cccc2ccccc12
InChIInChI=1S/C14H16S/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3
InChIKeyKZXMCMPXAHXTCF-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.73
Rot. Bonds3

About 1-butan-2-ylsulfanylnaphthalene

1-butan-2-ylsulfanylnaphthalene (PubChem CID 46892889) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-butan-2-ylsulfanylnaphthalene.

Molecular Properties

Compound Name1-butan-2-ylsulfanylnaphthalene
PubChem CID46892889
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name1-butan-2-ylsulfanylnaphthalene
SMILESCCC(C)Sc1cccc2ccccc12
InChIInChI=1S/C14H16S/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3
InChIKeyKZXMCMPXAHXTCF-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

4-butan-2-ylsulfanylnaphthalene-1-carboxylic acid
CID 114088674
(2-butan-2-ylsulfanylphenyl)methanamine
CID 43528764
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
6-butan-2-ylsulfanylpyridin-2-amine
CID 80652957
2-butan-2-ylsulfanyl-1-naphthalen-1-ylethanol
CID 65136052
naphthalen-1-yl thiohypofluorite
CID 142394158
azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
CID 113389108
2-(hydroxymethyl)-1-naphthalen-1-ylbutan-1-one
CID 116923135
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
S-naphthalen-1-yl (E)-5-methylhex-3-enethioate
CID 57382111

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanylnaphthalene?
The IUPAC name of 1-butan-2-ylsulfanylnaphthalene (CID 46892889) is 1-butan-2-ylsulfanylnaphthalene.
What is the SMILES notation for 1-butan-2-ylsulfanylnaphthalene?
The canonical SMILES for 1-butan-2-ylsulfanylnaphthalene is CCC(C)Sc1cccc2ccccc12.
What is the InChIKey of 1-butan-2-ylsulfanylnaphthalene?
The InChIKey is KZXMCMPXAHXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfanylnaphthalene?
1-butan-2-ylsulfanylnaphthalene has a molecular weight of 216.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanylnaphthalene is sourced from PubChem (CID 46892889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).