(4-bromo-2-methylsulfanylphenyl)methanamine

C8H10BrNS — CID 63813438

IUPAC(4-bromo-2-methylsulfanylphenyl)methanamine
SMILESCSc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyMOPJHUICHSUQMY-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.63
Rot. Bonds2

About (4-bromo-2-methylsulfanylphenyl)methanamine

(4-bromo-2-methylsulfanylphenyl)methanamine (PubChem CID 63813438) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is (4-bromo-2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylsulfanylphenyl)methanamine
PubChem CID63813438
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name(4-bromo-2-methylsulfanylphenyl)methanamine
SMILESCSc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyMOPJHUICHSUQMY-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylsulfanylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methylsulfanylphenyl)methanamine (CID 63813438) is (4-bromo-2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methylsulfanylphenyl)methanamine is CSc1cc(Br)ccc1CN.
What is the InChIKey of (4-bromo-2-methylsulfanylphenyl)methanamine?
The InChIKey is MOPJHUICHSUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-bromo-2-methylsulfanylphenyl)methanamine?
(4-bromo-2-methylsulfanylphenyl)methanamine has a molecular weight of 232.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 63813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).