(4-bromo-2-phenylsulfanylphenyl)methanamine

C13H12BrNS — CID 63804513

IUPAC(4-bromo-2-phenylsulfanylphenyl)methanamine
SMILESNCc1ccc(Br)cc1Sc1ccccc1
InChIInChI=1S/C13H12BrNS/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H,9,15H2
InChIKeyGGYSAPBTJPEUMG-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.06
Rot. Bonds3

About (4-bromo-2-phenylsulfanylphenyl)methanamine

(4-bromo-2-phenylsulfanylphenyl)methanamine (PubChem CID 63804513) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is (4-bromo-2-phenylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-phenylsulfanylphenyl)methanamine
PubChem CID63804513
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name(4-bromo-2-phenylsulfanylphenyl)methanamine
SMILESNCc1ccc(Br)cc1Sc1ccccc1
InChIInChI=1S/C13H12BrNS/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H,9,15H2
InChIKeyGGYSAPBTJPEUMG-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-phenylsulfanylphenyl)methanamine?
The IUPAC name of (4-bromo-2-phenylsulfanylphenyl)methanamine (CID 63804513) is (4-bromo-2-phenylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-phenylsulfanylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-phenylsulfanylphenyl)methanamine is NCc1ccc(Br)cc1Sc1ccccc1.
What is the InChIKey of (4-bromo-2-phenylsulfanylphenyl)methanamine?
The InChIKey is GGYSAPBTJPEUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNS/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H,9,15H2.
What are the key properties of (4-bromo-2-phenylsulfanylphenyl)methanamine?
(4-bromo-2-phenylsulfanylphenyl)methanamine has a molecular weight of 294.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-phenylsulfanylphenyl)methanamine is sourced from PubChem (CID 63804513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).