1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol

C9H13BrOS2 — CID 65149397

IUPAC1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C9H13BrOS2/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3
InChIKeyKTYFPKDRGKVDJF-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.17
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol

1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol (PubChem CID 65149397) has the molecular formula C9H13BrOS2 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
PubChem CID65149397
Molecular FormulaC9H13BrOS2
Molecular Weight281.24 g/mol
Exact Mass279.96
IUPAC Name1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C9H13BrOS2/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3
InChIKeyKTYFPKDRGKVDJF-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-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295733
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
CID 65132423
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(5-bromothiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105087287
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111344113
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol (CID 65149397) is 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol is CSCCC(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol?
The InChIKey is KTYFPKDRGKVDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS2/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol?
1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-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-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 65149397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).