N-(2-bromo-4-fluorophenyl)thian-4-amine

C11H13BrFNS — CID 43511366

IUPACN-(2-bromo-4-fluorophenyl)thian-4-amine
SMILESFc1ccc(NC2CCSCC2)c(Br)c1
InChIInChI=1S/C11H13BrFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyXVFIBRSLBIXBPC-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.90
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)thian-4-amine

N-(2-bromo-4-fluorophenyl)thian-4-amine (PubChem CID 43511366) has the molecular formula C11H13BrFNS and a molecular weight of 290.20 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)thian-4-amine
PubChem CID43511366
Molecular FormulaC11H13BrFNS
Molecular Weight290.20 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromo-4-fluorophenyl)thian-4-amine
SMILESFc1ccc(NC2CCSCC2)c(Br)c1
InChIInChI=1S/C11H13BrFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyXVFIBRSLBIXBPC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)thian-4-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)thian-4-amine (CID 43511366) is N-(2-bromo-4-fluorophenyl)thian-4-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)thian-4-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)thian-4-amine is Fc1ccc(NC2CCSCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)thian-4-amine?
The InChIKey is XVFIBRSLBIXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)thian-4-amine?
N-(2-bromo-4-fluorophenyl)thian-4-amine has a molecular weight of 290.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)thian-4-amine is sourced from PubChem (CID 43511366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).