(2S)-2-ethenylsulfanyl-4-methylpentanoic acid

C8H14O2S — CID 151714492

IUPAC(2S)-2-ethenylsulfanyl-4-methylpentanoic acid
SMILESC=CS[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14O2S/c1-4-11-7(8(9)10)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t7-/m0/s1
InChIKeyRHGFYLVGHZOSJF-ZETCQYMHSA-N
MW174.26 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-ethenylsulfanyl-4-methylpentanoic acid

(2S)-2-ethenylsulfanyl-4-methylpentanoic acid (PubChem CID 151714492) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (2S)-2-ethenylsulfanyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-ethenylsulfanyl-4-methylpentanoic acid
PubChem CID151714492
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(2S)-2-ethenylsulfanyl-4-methylpentanoic acid
SMILESC=CS[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14O2S/c1-4-11-7(8(9)10)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t7-/m0/s1
InChIKeyRHGFYLVGHZOSJF-ZETCQYMHSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenylsulfanyl-4-methylpentanoic acid?
The IUPAC name of (2S)-2-ethenylsulfanyl-4-methylpentanoic acid (CID 151714492) is (2S)-2-ethenylsulfanyl-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-ethenylsulfanyl-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-ethenylsulfanyl-4-methylpentanoic acid is C=CS[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-ethenylsulfanyl-4-methylpentanoic acid?
The InChIKey is RHGFYLVGHZOSJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O2S/c1-4-11-7(8(9)10)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-ethenylsulfanyl-4-methylpentanoic acid?
(2S)-2-ethenylsulfanyl-4-methylpentanoic acid has a molecular weight of 174.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenylsulfanyl-4-methylpentanoic acid is sourced from PubChem (CID 151714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).