2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol

C14H12BrClOS — CID 66145607

IUPAC2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
SMILESOC(CSc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,17H,9H2
InChIKeyQVIYXHDBPLNROG-UHFFFAOYSA-N
MW343.67 g/mol
LogP4.93
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol

2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol (PubChem CID 66145607) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
PubChem CID66145607
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
SMILESOC(CSc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,17H,9H2
InChIKeyQVIYXHDBPLNROG-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
CID 66144443
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
1-(2-bromo-3,4-difluorophenyl)-2-(2-chlorophenyl)sulfanylethanol
CID 107540962
2-(2-bromophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738041
2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 103395414
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647156

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol (CID 66145607) is 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol is OC(CSc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol?
The InChIKey is QVIYXHDBPLNROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,17H,9H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol has a molecular weight of 343.67 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 66145607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).