(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine

C12H12BrNS2 — CID 105010938

IUPAC(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cscc1Br
InChIInChI=1S/C12H12BrNS2/c1-15-11-5-3-2-4-8(11)12(14)9-6-16-7-10(9)13/h2-7,12H,14H2,1H3
InChIKeyABGPFCAXVQBTFR-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.28
Rot. Bonds3

About (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine

(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine (PubChem CID 105010938) has the molecular formula C12H12BrNS2 and a molecular weight of 314.27 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
PubChem CID105010938
Molecular FormulaC12H12BrNS2
Molecular Weight314.27 g/mol
Exact Mass312.96
IUPAC Name(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cscc1Br
InChIInChI=1S/C12H12BrNS2/c1-15-11-5-3-2-4-8(11)12(14)9-6-16-7-10(9)13/h2-7,12H,14H2,1H3
InChIKeyABGPFCAXVQBTFR-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
CID 79595197
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine (CID 105010938) is (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine is CSc1ccccc1C(N)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine?
The InChIKey is ABGPFCAXVQBTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS2/c1-15-11-5-3-2-4-8(11)12(14)9-6-16-7-10(9)13/h2-7,12H,14H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine?
(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine has a molecular weight of 314.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 105010938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).