(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine

C9H6Br3NS2 — CID 105010511

IUPAC(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cscc1Br
InChIInChI=1S/C9H6Br3NS2/c10-5-1-7(15-9(5)12)8(13)4-2-14-3-6(4)11/h1-3,8H,13H2
InChIKeySKZLGJKLDFUTSZ-UHFFFAOYSA-N
MW432.00 g/mol
LogP5.15
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine

(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 105010511) has the molecular formula C9H6Br3NS2 and a molecular weight of 432.00 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID105010511
Molecular FormulaC9H6Br3NS2
Molecular Weight432.00 g/mol
Exact Mass428.75
IUPAC Name(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cscc1Br
InChIInChI=1S/C9H6Br3NS2/c10-5-1-7(15-9(5)12)8(13)4-2-14-3-6(4)11/h1-3,8H,13H2
InChIKeySKZLGJKLDFUTSZ-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.00
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine (CID 105010511) is (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine is NC(c1cc(Br)c(Br)s1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is SKZLGJKLDFUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br3NS2/c10-5-1-7(15-9(5)12)8(13)4-2-14-3-6(4)11/h1-3,8H,13H2.
What are the key properties of (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine?
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 432.00 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 105010511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).