2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol

C12H15ClOS2 — CID 80636553

IUPAC2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
SMILESOC(CSc1ccccc1Cl)C1CCCS1
InChIInChI=1S/C12H15ClOS2/c13-9-4-1-2-5-11(9)16-8-10(14)12-6-3-7-15-12/h1-2,4-5,10,12,14H,3,6-8H2
InChIKeyZRLASNIWKPDERC-UHFFFAOYSA-N
MW274.84 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol (PubChem CID 80636553) has the molecular formula C12H15ClOS2 and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
PubChem CID80636553
Molecular FormulaC12H15ClOS2
Molecular Weight274.84 g/mol
Exact Mass274.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
SMILESOC(CSc1ccccc1Cl)C1CCCS1
InChIInChI=1S/C12H15ClOS2/c13-9-4-1-2-5-11(9)16-8-10(14)12-6-3-7-15-12/h1-2,4-5,10,12,14H,3,6-8H2
InChIKeyZRLASNIWKPDERC-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
CID 66154112
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
CID 66153922
1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)sulfanylethanol
CID 66153723
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
CID 64806375
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol (CID 80636553) is 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol is OC(CSc1ccccc1Cl)C1CCCS1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol?
The InChIKey is ZRLASNIWKPDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS2/c13-9-4-1-2-5-11(9)16-8-10(14)12-6-3-7-15-12/h1-2,4-5,10,12,14H,3,6-8H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol has a molecular weight of 274.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80636553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).