1-(2,4-dichlorophenyl)-2-sulfanylethanol

C8H8Cl2OS — CID 116830061

IUPAC1-(2,4-dichlorophenyl)-2-sulfanylethanol
SMILESOC(CS)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2OS/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,11-12H,4H2
InChIKeyQQGDRLCCGMUIQZ-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.96
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-2-sulfanylethanol

1-(2,4-dichlorophenyl)-2-sulfanylethanol (PubChem CID 116830061) has the molecular formula C8H8Cl2OS and a molecular weight of 223.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-sulfanylethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-sulfanylethanol
PubChem CID116830061
Molecular FormulaC8H8Cl2OS
Molecular Weight223.12 g/mol
Exact Mass221.97
IUPAC Name1-(2,4-dichlorophenyl)-2-sulfanylethanol
SMILESOC(CS)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2OS/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,11-12H,4H2
InChIKeyQQGDRLCCGMUIQZ-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol
CID 51374227

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-sulfanylethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-sulfanylethanol (CID 116830061) is 1-(2,4-dichlorophenyl)-2-sulfanylethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-sulfanylethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-sulfanylethanol is OC(CS)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-sulfanylethanol?
The InChIKey is QQGDRLCCGMUIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2OS/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,11-12H,4H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-sulfanylethanol?
1-(2,4-dichlorophenyl)-2-sulfanylethanol has a molecular weight of 223.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-sulfanylethanol is sourced from PubChem (CID 116830061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).