2-(2-methylprop-2-enylsulfanyl)acetic acid

C6H10O2S — CID 24710674

IUPAC2-(2-methylprop-2-enylsulfanyl)acetic acid
SMILESC=C(C)CSCC(=O)O
InChIInChI=1S/C6H10O2S/c1-5(2)3-9-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChIKeyZJWLYGJIHCBEQW-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-methylprop-2-enylsulfanyl)acetic acid

2-(2-methylprop-2-enylsulfanyl)acetic acid (PubChem CID 24710674) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)acetic acid
PubChem CID24710674
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-(2-methylprop-2-enylsulfanyl)acetic acid
SMILESC=C(C)CSCC(=O)O
InChIInChI=1S/C6H10O2S/c1-5(2)3-9-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChIKeyZJWLYGJIHCBEQW-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)acetic acid?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)acetic acid (CID 24710674) is 2-(2-methylprop-2-enylsulfanyl)acetic acid.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)acetic acid?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)acetic acid is C=C(C)CSCC(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)acetic acid?
The InChIKey is ZJWLYGJIHCBEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5(2)3-9-4-6(7)8/h1,3-4H2,2H3,(H,7,8).
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)acetic acid?
2-(2-methylprop-2-enylsulfanyl)acetic acid has a molecular weight of 146.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)acetic acid is sourced from PubChem (CID 24710674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).