1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide

C11H13BrFNOS — CID 176888565

IUPAC1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide
SMILESO=S1(=Nc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C11H13BrFNOS/c12-9-4-5-11(10(13)8-9)14-16(15)6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyZKSZZLXTHLINIF-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.87
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide

1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide (PubChem CID 176888565) has the molecular formula C11H13BrFNOS and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide
PubChem CID176888565
Molecular FormulaC11H13BrFNOS
Molecular Weight306.20 g/mol
Exact Mass304.99
IUPAC Name1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide
SMILESO=S1(=Nc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C11H13BrFNOS/c12-9-4-5-11(10(13)8-9)14-16(15)6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyZKSZZLXTHLINIF-UHFFFAOYSA-N
XLogP3.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide (CID 176888565) is 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide is O=S1(=Nc2ccc(Br)cc2F)CCCCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide?
The InChIKey is ZKSZZLXTHLINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNOS/c12-9-4-5-11(10(13)8-9)14-16(15)6-2-1-3-7-16/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide?
1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide has a molecular weight of 306.20 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)iminothiane 1-oxide is sourced from PubChem (CID 176888565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).