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

C9H6Br2ClNS2 — CID 80536306

IUPAC(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1sccc1Cl
InChIInChI=1S/C9H6Br2ClNS2/c10-4-3-6(15-9(4)11)7(13)8-5(12)1-2-14-8/h1-3,7H,13H2
InChIKeyYXKFVSSLRJKOPH-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.04
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 80536306) has the molecular formula C9H6Br2ClNS2 and a molecular weight of 387.55 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID80536306
Molecular FormulaC9H6Br2ClNS2
Molecular Weight387.55 g/mol
Exact Mass384.80
IUPAC Name(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1sccc1Cl
InChIInChI=1S/C9H6Br2ClNS2/c10-4-3-6(15-9(4)11)7(13)8-5(12)1-2-14-8/h1-3,7H,13H2
InChIKeyYXKFVSSLRJKOPH-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
CID 80530685
N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80536325
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine (CID 80536306) is (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine is NC(c1cc(Br)c(Br)s1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is YXKFVSSLRJKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2ClNS2/c10-4-3-6(15-9(4)11)7(13)8-5(12)1-2-14-8/h1-3,7H,13H2.
What are the key properties of (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine?
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 387.55 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 80536306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).