1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol

C9H13BrOS2 — CID 65130914

IUPAC1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C9H13BrOS2/c1-2-12-6-8(11)4-9-3-7(10)5-13-9/h3,5,8,11H,2,4,6H2,1H3
InChIKeyHBCYTAKEVIWKOI-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol

1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol (PubChem CID 65130914) has the molecular formula C9H13BrOS2 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
PubChem CID65130914
Molecular FormulaC9H13BrOS2
Molecular Weight281.24 g/mol
Exact Mass279.96
IUPAC Name1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C9H13BrOS2/c1-2-12-6-8(11)4-9-3-7(10)5-13-9/h3,5,8,11H,2,4,6H2,1H3
InChIKeyHBCYTAKEVIWKOI-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol
CID 65129830
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol (CID 65130914) is 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol is CCSCC(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol?
The InChIKey is HBCYTAKEVIWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS2/c1-2-12-6-8(11)4-9-3-7(10)5-13-9/h3,5,8,11H,2,4,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol?
1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol has a molecular weight of 281.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 65130914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).