(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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Related Compounds

2-(6-fluorohexylsulfanyl)-4-methylpentanoic acid
CID 87341359
2-(6-fluoroheptylsulfanyl)-4-methylpentanoic acid
CID 87340186
2-but-3-en-2-ylsulfanylbutanoic acid
CID 105352849
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 90762380
4-(1-carboxy-3-methylbutyl)sulfanylbenzoic acid
CID 138533167
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
2-ethenyl-6-methylheptanoic acid
CID 23167196
(5R)-7-methyloct-1-ene-3,3,4-tricarboxylic acid
CID 54458829
7-methyloct-1-ene-3,3,4-tricarboxylic acid
CID 57248736
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
4-methyl-2-(2-prop-2-enylsulfanylethylcarbamoylamino)pentanoic acid
CID 113363770

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).