1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol

C15H13Br2FOS — CID 66161561

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H13Br2FOS/c16-11-2-1-3-14(8-11)20-9-13(19)7-10-6-12(18)4-5-15(10)17/h1-6,8,13,19H,7,9H2
InChIKeyPGYIJAZQUCUQNX-UHFFFAOYSA-N
MW420.14 g/mol
LogP5.05
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol

1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol (PubChem CID 66161561) has the molecular formula C15H13Br2FOS and a molecular weight of 420.14 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
PubChem CID66161561
Molecular FormulaC15H13Br2FOS
Molecular Weight420.14 g/mol
Exact Mass417.90
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H13Br2FOS/c16-11-2-1-3-14(8-11)20-9-13(19)7-10-6-12(18)4-5-15(10)17/h1-6,8,13,19H,7,9H2
InChIKeyPGYIJAZQUCUQNX-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.14
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776
1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 115983592
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884277
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol (CID 66161561) is 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol is OC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol?
The InChIKey is PGYIJAZQUCUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FOS/c16-11-2-1-3-14(8-11)20-9-13(19)7-10-6-12(18)4-5-15(10)17/h1-6,8,13,19H,7,9H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol has a molecular weight of 420.14 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66161561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).