1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol

C15H17BrOS2 — CID 66054897

IUPAC1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccc(Br)cc2)s1
InChIInChI=1S/C15H17BrOS2/c1-2-13-7-8-15(19-13)9-12(17)10-18-14-5-3-11(16)4-6-14/h3-8,12,17H,2,9-10H2,1H3
InChIKeyGGJJAEFOUFGGAH-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.77
Rot. Bonds6

About 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol

1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol (PubChem CID 66054897) has the molecular formula C15H17BrOS2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
PubChem CID66054897
Molecular FormulaC15H17BrOS2
Molecular Weight357.34 g/mol
Exact Mass355.99
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccc(Br)cc2)s1
InChIInChI=1S/C15H17BrOS2/c1-2-13-7-8-15(19-13)9-12(17)10-18-14-5-3-11(16)4-6-14/h3-8,12,17H,2,9-10H2,1H3
InChIKeyGGJJAEFOUFGGAH-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
1-(4-bromophenyl)sulfanylundecan-2-ol
CID 66054287
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 65139689
1-(4-bromophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66055086
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564
1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62608280
2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 65148012

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol (CID 66054897) is 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol is CCc1ccc(CC(O)CSc2ccc(Br)cc2)s1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The InChIKey is GGJJAEFOUFGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS2/c1-2-13-7-8-15(19-13)9-12(17)10-18-14-5-3-11(16)4-6-14/h3-8,12,17H,2,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol has a molecular weight of 357.34 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 66054897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).