1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol

C15H14BrClOS2 — CID 66160238

IUPAC1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(Cl)c1)CSc1cccc(Br)c1
InChIInChI=1S/C15H14BrClOS2/c16-11-3-1-5-14(7-11)19-9-13(18)10-20-15-6-2-4-12(17)8-15/h1-8,13,18H,9-10H2
InChIKeyURCNWVKXHXXSTL-UHFFFAOYSA-N
MW389.77 g/mol
LogP5.35
Rot. Bonds6

About 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol

1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol (PubChem CID 66160238) has the molecular formula C15H14BrClOS2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
PubChem CID66160238
Molecular FormulaC15H14BrClOS2
Molecular Weight389.77 g/mol
Exact Mass387.94
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(Cl)c1)CSc1cccc(Br)c1
InChIInChI=1S/C15H14BrClOS2/c16-11-3-1-5-14(7-11)19-9-13(18)10-20-15-6-2-4-12(17)8-15/h1-8,13,18H,9-10H2
InChIKeyURCNWVKXHXXSTL-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromophenyl)sulfanylpent-4-en-2-ol
CID 66159404
1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 115983592
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
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1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
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1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol (CID 66160238) is 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol is OC(CSc1cccc(Cl)c1)CSc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol?
The InChIKey is URCNWVKXHXXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClOS2/c16-11-3-1-5-14(7-11)19-9-13(18)10-20-15-6-2-4-12(17)8-15/h1-8,13,18H,9-10H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol?
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol has a molecular weight of 389.77 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66160238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).