1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol

C11H17BrOS2 — CID 65132423

IUPAC1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS2/c1-11(2,3)14-7-8(13)6-9-4-5-10(12)15-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyPRWNMUBOKQKVCM-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol

1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol (PubChem CID 65132423) has the molecular formula C11H17BrOS2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
PubChem CID65132423
Molecular FormulaC11H17BrOS2
Molecular Weight309.29 g/mol
Exact Mass307.99
IUPAC Name1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS2/c1-11(2,3)14-7-8(13)6-9-4-5-10(12)15-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyPRWNMUBOKQKVCM-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
CID 65149397
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
N-[(5-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine;hydrochloride
CID 115614482
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol (CID 65132423) is 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol is CC(C)(C)SCC(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol?
The InChIKey is PRWNMUBOKQKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrOS2/c1-11(2,3)14-7-8(13)6-9-4-5-10(12)15-9/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol?
1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol has a molecular weight of 309.29 g/mol, XLogP of 3.95, 4 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)-3-tert-butylsulfanylpropan-2-ol is sourced from PubChem (CID 65132423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).