2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid

C14H14O2S — CID 116852471

IUPAC2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid
SMILESCc1ccc2cc(SC(C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O2S/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
InChIKeyJNHLCDTVOFARMO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.71
Rot. Bonds3

About 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid

2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid (PubChem CID 116852471) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid
PubChem CID116852471
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid
SMILESCc1ccc2cc(SC(C)C(=O)O)ccc2c1
InChIInChI=1S/C14H14O2S/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
InChIKeyJNHLCDTVOFARMO-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16785629
2-[4-(3-methylphenyl)phenyl]sulfanylpropanoic acid
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CID 11820095
2-(4-ethylsulfanylphenyl)sulfanylpropanoic acid
CID 116852440
2-(1,2-dimethylbenzimidazol-5-yl)sulfanylpropanoic acid
CID 116852451
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
2-(4-acetylphenyl)sulfanylpropanoic acid
CID 43627889
2-(4-formylphenyl)sulfanylpropanoic acid
CID 112704101
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid
CID 16775944
2-(4-cyanophenyl)sulfanylpropanoic acid
CID 43188327
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
2-dibenzofuran-2-ylsulfanylpropanoic acid
CID 71395413

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid?
The IUPAC name of 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid (CID 116852471) is 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid is Cc1ccc2cc(SC(C)C(=O)O)ccc2c1.
What is the InChIKey of 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid?
The InChIKey is JNHLCDTVOFARMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-3-4-12-8-13(6-5-11(12)7-9)17-10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16).
What are the key properties of 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid?
2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid has a molecular weight of 246.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid is sourced from PubChem (CID 116852471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).