1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

C13H12BrFOS2 — CID 66070207

IUPAC1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C13H12BrFOS2/c14-12-4-5-17-13(12)7-10(16)8-18-11-3-1-2-9(15)6-11/h1-6,10,16H,7-8H2
InChIKeyVRJMNRSJRRAHKJ-UHFFFAOYSA-N
MW347.27 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66070207) has the molecular formula C13H12BrFOS2 and a molecular weight of 347.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66070207
Molecular FormulaC13H12BrFOS2
Molecular Weight347.27 g/mol
Exact Mass345.95
IUPAC Name1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1sccc1Br
InChIInChI=1S/C13H12BrFOS2/c14-12-4-5-17-13(12)7-10(16)8-18-11-3-1-2-9(15)6-11/h1-6,10,16H,7-8H2
InChIKeyVRJMNRSJRRAHKJ-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-ol
CID 83175265
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070826
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
CID 66073097
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 62944185
1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65145228
1-(3-fluorophenyl)sulfanylhept-5-yn-2-ol
CID 104803944

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (CID 66070207) is 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1cccc(F)c1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is VRJMNRSJRRAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS2/c14-12-4-5-17-13(12)7-10(16)8-18-11-3-1-2-9(15)6-11/h1-6,10,16H,7-8H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 347.27 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66070207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).