1-(6-ethylsulfanylnaphthalen-2-yl)ethanone

C14H14OS — CID 22152811

IUPAC1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
SMILESCCSc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C14H14OS/c1-3-16-14-7-6-12-8-11(10(2)15)4-5-13(12)9-14/h4-9H,3H2,1-2H3
InChIKeyMJBVHIFKYDZPKY-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.15
Rot. Bonds3

About 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone

1-(6-ethylsulfanylnaphthalen-2-yl)ethanone (PubChem CID 22152811) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
PubChem CID22152811
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
SMILESCCSc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C14H14OS/c1-3-16-14-7-6-12-8-11(10(2)15)4-5-13(12)9-14/h4-9H,3H2,1-2H3
InChIKeyMJBVHIFKYDZPKY-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
(Z)-4-(4-ethylsulfanylphenyl)-4-hydroxybut-3-en-2-one
CID 27280853
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
CID 123412123
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
1-[4-(2-ethylbutylsulfanyl)phenyl]ethanone
CID 82925078

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone (CID 22152811) is 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone is CCSc1ccc2cc(C(C)=O)ccc2c1.
What is the InChIKey of 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone?
The InChIKey is MJBVHIFKYDZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-3-16-14-7-6-12-8-11(10(2)15)4-5-13(12)9-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone?
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone has a molecular weight of 230.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfanylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 22152811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).