(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol

C14H12BrClOS — CID 78951361

IUPAC(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1
InChIKeySVEZHYAZOQPYQV-VIFPVBQESA-N
MW343.67 g/mol
LogP5.31
Rot. Bonds3

About (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol

(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol (PubChem CID 78951361) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol
PubChem CID78951361
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1
InChIKeySVEZHYAZOQPYQV-VIFPVBQESA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
CID 63835061
1-[3-chloro-4-(2-methylpropylsulfanyl)phenyl]ethanol
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3-[2-chloro-4-(1-hydroxyethyl)phenyl]sulfanylbutan-2-ol
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N-[[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]methyl]cyclopropanamine
CID 81160108
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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol (CID 78951361) is (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol is C[C@H](O)c1ccc(Sc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol?
The InChIKey is SVEZHYAZOQPYQV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrClOS/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol?
(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol has a molecular weight of 343.67 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol is sourced from PubChem (CID 78951361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).