2-(3,4-dichlorophenyl)sulfanylethanol

C8H8Cl2OS — CID 2758205

IUPAC2-(3,4-dichlorophenyl)sulfanylethanol
SMILESOCCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyBWRURDYHPUVXMI-UHFFFAOYSA-N
MW223.12 g/mol
LogP3.08
Rot. Bonds3

About 2-(3,4-dichlorophenyl)sulfanylethanol

2-(3,4-dichlorophenyl)sulfanylethanol (PubChem CID 2758205) has the molecular formula C8H8Cl2OS and a molecular weight of 223.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfanylethanol
PubChem CID2758205
Molecular FormulaC8H8Cl2OS
Molecular Weight223.12 g/mol
Exact Mass221.97
IUPAC Name2-(3,4-dichlorophenyl)sulfanylethanol
SMILESOCCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyBWRURDYHPUVXMI-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfanylethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfanylethanol (CID 2758205) is 2-(3,4-dichlorophenyl)sulfanylethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfanylethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfanylethanol is OCCSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfanylethanol?
The InChIKey is BWRURDYHPUVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2.
What are the key properties of 2-(3,4-dichlorophenyl)sulfanylethanol?
2-(3,4-dichlorophenyl)sulfanylethanol has a molecular weight of 223.12 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfanylethanol is sourced from PubChem (CID 2758205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).