4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol

C11H15BrOS — CID 79176960

IUPAC4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3
InChIKeySKTZJKTVKAKKLD-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.70
Rot. Bonds4

About 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol

4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 79176960) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID79176960
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3
InChIKeySKTZJKTVKAKKLD-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
CID 79356210
2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
CID 64819483
1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496169
1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
4-(2-bromophenyl)sulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695703
4-(3-amino-2-methylphenyl)sulfanyl-2-methylbutan-2-ol
CID 79355067
5-(2-bromophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64819935
1-bromo-2-pentylsulfanylbenzene
CID 91658468
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
2-[3-(2-bromophenyl)sulfanylpropanoyl-methylamino]-2-methylpropanoic acid
CID 119200304
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
4-(2-bromophenyl)sulfanyl-N-methylbutan-1-amine
CID 62577188

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol (CID 79176960) is 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol is CC(C)(O)CCSc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is SKTZJKTVKAKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-11(2,13)7-8-14-10-6-4-3-5-9(10)12/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 275.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 79176960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).