(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine

C13H14BrNS2 — CID 79991416

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C13H14BrNS2/c1-8-7-11(17-13(8)14)12(15)9-5-3-4-6-10(9)16-2/h3-7,12H,15H2,1-2H3
InChIKeyGRSSBFKXBNEHPD-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.59
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine (PubChem CID 79991416) has the molecular formula C13H14BrNS2 and a molecular weight of 328.30 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
PubChem CID79991416
Molecular FormulaC13H14BrNS2
Molecular Weight328.30 g/mol
Exact Mass326.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C13H14BrNS2/c1-8-7-11(17-13(8)14)12(15)9-5-3-4-6-10(9)16-2/h3-7,12H,15H2,1-2H3
InChIKeyGRSSBFKXBNEHPD-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine (CID 79991416) is (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine is CSc1ccccc1C(N)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine?
The InChIKey is GRSSBFKXBNEHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS2/c1-8-7-11(17-13(8)14)12(15)9-5-3-4-6-10(9)16-2/h3-7,12H,15H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine has a molecular weight of 328.30 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79991416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).