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

C10H15BrOS2 — CID 65129830

IUPAC1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol
SMILESCCCSCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrOS2/c1-2-3-13-7-9(12)5-10-4-8(11)6-14-10/h4,6,9,12H,2-3,5,7H2,1H3
InChIKeyBUKOYSWEGYVKOG-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.56
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol (PubChem CID 65129830) has the molecular formula C10H15BrOS2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol
PubChem CID65129830
Molecular FormulaC10H15BrOS2
Molecular Weight295.27 g/mol
Exact Mass293.97
IUPAC Name1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol
SMILESCCCSCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrOS2/c1-2-3-13-7-9(12)5-10-4-8(11)6-14-10/h4,6,9,12H,2-3,5,7H2,1H3
InChIKeyBUKOYSWEGYVKOG-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
CID 65130914
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
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)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
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
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylpropylsulfanyl)ethanamine
CID 62576331
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol (CID 65129830) is 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol is CCCSCC(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol?
The InChIKey is BUKOYSWEGYVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrOS2/c1-2-3-13-7-9(12)5-10-4-8(11)6-14-10/h4,6,9,12H,2-3,5,7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol?
1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol has a molecular weight of 295.27 g/mol, XLogP of 3.56, 6 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-propylsulfanylpropan-2-ol is sourced from PubChem (CID 65129830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).