(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine

C9H6Br2ClNS2 — CID 80530685

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)c1sccc1Br
InChIInChI=1S/C9H6Br2ClNS2/c10-4-1-2-14-8(4)7(13)6-3-5(12)9(11)15-6/h1-3,7H,13H2
InChIKeyIXFZSCIYBGRRPD-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.04
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine (PubChem CID 80530685) has the molecular formula C9H6Br2ClNS2 and a molecular weight of 387.55 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
PubChem CID80530685
Molecular FormulaC9H6Br2ClNS2
Molecular Weight387.55 g/mol
Exact Mass384.80
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)c1sccc1Br
InChIInChI=1S/C9H6Br2ClNS2/c10-4-1-2-14-8(4)7(13)6-3-5(12)9(11)15-6/h1-3,7H,13H2
InChIKeyIXFZSCIYBGRRPD-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

(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684530
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine (CID 80530685) is (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine is NC(c1cc(Cl)c(Br)s1)c1sccc1Br.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine?
The InChIKey is IXFZSCIYBGRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2ClNS2/c10-4-1-2-14-8(4)7(13)6-3-5(12)9(11)15-6/h1-3,7H,13H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-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 (5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 80530685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).