3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol

C6H11ClO2S — CID 79683095

IUPAC3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol
SMILESC=C(Cl)CSCC(O)CO
InChIInChI=1S/C6H11ClO2S/c1-5(7)3-10-4-6(9)2-8/h6,8-9H,1-4H2
InChIKeyAHQSNDUPAJQXOO-UHFFFAOYSA-N
MW182.67 g/mol
LogP0.83
Rot. Bonds5

About 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol

3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol (PubChem CID 79683095) has the molecular formula C6H11ClO2S and a molecular weight of 182.67 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol
PubChem CID79683095
Molecular FormulaC6H11ClO2S
Molecular Weight182.67 g/mol
Exact Mass182.02
IUPAC Name3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol
SMILESC=C(Cl)CSCC(O)CO
InChIInChI=1S/C6H11ClO2S/c1-5(7)3-10-4-6(9)2-8/h6,8-9H,1-4H2
InChIKeyAHQSNDUPAJQXOO-UHFFFAOYSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol (CID 79683095) is 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol is C=C(Cl)CSCC(O)CO.
What is the InChIKey of 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol?
The InChIKey is AHQSNDUPAJQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2S/c1-5(7)3-10-4-6(9)2-8/h6,8-9H,1-4H2.
What are the key properties of 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol?
3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol has a molecular weight of 182.67 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 79683095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).