1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol

C11H15BrOS — CID 114496169

IUPAC1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-3-11(2,13)8-14-10-7-5-4-6-9(10)12/h4-7,13H,3,8H2,1-2H3
InChIKeyKSKWLXPAASJHDH-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol

1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 114496169) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID114496169
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccccc1Br
InChIInChI=1S/C11H15BrOS/c1-3-11(2,13)8-14-10-7-5-4-6-9(10)12/h4-7,13H,3,8H2,1-2H3
InChIKeyKSKWLXPAASJHDH-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol (CID 114496169) is 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol is CCC(C)(O)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is KSKWLXPAASJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-3-11(2,13)8-14-10-7-5-4-6-9(10)12/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol?
1-(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 1-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 114496169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).