1-(3-bromophenyl)sulfanylpropan-2-amine

C9H12BrNS — CID 64634759

IUPAC1-(3-bromophenyl)sulfanylpropan-2-amine
SMILESCC(N)CSc1cccc(Br)c1
InChIInChI=1S/C9H12BrNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3
InChIKeyCGFRYSKJIWNDKV-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-bromophenyl)sulfanylpropan-2-amine

1-(3-bromophenyl)sulfanylpropan-2-amine (PubChem CID 64634759) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanylpropan-2-amine
PubChem CID64634759
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name1-(3-bromophenyl)sulfanylpropan-2-amine
SMILESCC(N)CSc1cccc(Br)c1
InChIInChI=1S/C9H12BrNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3
InChIKeyCGFRYSKJIWNDKV-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanylpropan-2-amine (CID 64634759) is 1-(3-bromophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanylpropan-2-amine is CC(N)CSc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanylpropan-2-amine?
The InChIKey is CGFRYSKJIWNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)sulfanylpropan-2-amine?
1-(3-bromophenyl)sulfanylpropan-2-amine has a molecular weight of 246.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 64634759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).