2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid

C5H6Cl2O2S — CID 79168464

IUPAC2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid
SMILESO=C(O)CSCC(Cl)=CCl
InChIInChI=1S/C5H6Cl2O2S/c6-1-4(7)2-10-3-5(8)9/h1H,2-3H2,(H,8,9)
InChIKeyHOVQSNVYNSABKS-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid

2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid (PubChem CID 79168464) has the molecular formula C5H6Cl2O2S and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid
PubChem CID79168464
Molecular FormulaC5H6Cl2O2S
Molecular Weight201.07 g/mol
Exact Mass199.95
IUPAC Name2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid
SMILESO=C(O)CSCC(Cl)=CCl
InChIInChI=1S/C5H6Cl2O2S/c6-1-4(7)2-10-3-5(8)9/h1H,2-3H2,(H,8,9)
InChIKeyHOVQSNVYNSABKS-UHFFFAOYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid?
The IUPAC name of 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid (CID 79168464) is 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid?
The canonical SMILES for 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid is O=C(O)CSCC(Cl)=CCl.
What is the InChIKey of 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid?
The InChIKey is HOVQSNVYNSABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O2S/c6-1-4(7)2-10-3-5(8)9/h1H,2-3H2,(H,8,9).
What are the key properties of 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid?
2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid has a molecular weight of 201.07 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid is sourced from PubChem (CID 79168464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).