(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol

C14H13ClOS — CID 63813984

IUPAC(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
SMILESC[C@H](O)c1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C14H13ClOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m0/s1
InChIKeyABGZQBUMTQCQQK-JTQLQIEISA-N
MW264.78 g/mol
LogP4.54
Rot. Bonds3

About (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol

(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol (PubChem CID 63813984) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
PubChem CID63813984
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
SMILESC[C@H](O)c1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C14H13ClOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m0/s1
InChIKeyABGZQBUMTQCQQK-JTQLQIEISA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792411
1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene
CID 66735184
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol (CID 63813984) is (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol is C[C@H](O)c1ccccc1Sc1ccccc1Cl.
What is the InChIKey of (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol?
The InChIKey is ABGZQBUMTQCQQK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClOS/c1-10(16)11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-10,16H,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol?
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol has a molecular weight of 264.78 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63813984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).