1-(3-bromothiophen-2-yl)pentane-1,2-diol

C9H13BrO2S — CID 103454860

IUPAC1-(3-bromothiophen-2-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1sccc1Br
InChIInChI=1S/C9H13BrO2S/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3
InChIKeyZTVLOPAMGFSMJX-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)pentane-1,2-diol

1-(3-bromothiophen-2-yl)pentane-1,2-diol (PubChem CID 103454860) has the molecular formula C9H13BrO2S and a molecular weight of 265.17 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)pentane-1,2-diol
PubChem CID103454860
Molecular FormulaC9H13BrO2S
Molecular Weight265.17 g/mol
Exact Mass263.98
IUPAC Name1-(3-bromothiophen-2-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1sccc1Br
InChIInChI=1S/C9H13BrO2S/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3
InChIKeyZTVLOPAMGFSMJX-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
CID 105119347
1-(3-bromothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119402
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
4-amino-1-(3-butylthiophen-2-yl)butane-1,2-diol
CID 171881085
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627
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CID 80534752

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)pentane-1,2-diol?
The IUPAC name of 1-(3-bromothiophen-2-yl)pentane-1,2-diol (CID 103454860) is 1-(3-bromothiophen-2-yl)pentane-1,2-diol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)pentane-1,2-diol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)pentane-1,2-diol is CCCC(O)C(O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)pentane-1,2-diol?
The InChIKey is ZTVLOPAMGFSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO2S/c1-2-3-7(11)8(12)9-6(10)4-5-13-9/h4-5,7-8,11-12H,2-3H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)pentane-1,2-diol?
1-(3-bromothiophen-2-yl)pentane-1,2-diol has a molecular weight of 265.17 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)pentane-1,2-diol is sourced from PubChem (CID 103454860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).