4-(4-bromo-5-methylthiophen-2-yl)aniline

C11H10BrNS — CID 169490510

IUPAC4-(4-bromo-5-methylthiophen-2-yl)aniline
SMILESCc1sc(-c2ccc(N)cc2)cc1Br
InChIInChI=1S/C11H10BrNS/c1-7-10(12)6-11(14-7)8-2-4-9(13)5-3-8/h2-6H,13H2,1H3
InChIKeySJVCCQYNLAMKKE-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.07
Rot. Bonds1

About 4-(4-bromo-5-methylthiophen-2-yl)aniline

4-(4-bromo-5-methylthiophen-2-yl)aniline (PubChem CID 169490510) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-(4-bromo-5-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name4-(4-bromo-5-methylthiophen-2-yl)aniline
PubChem CID169490510
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name4-(4-bromo-5-methylthiophen-2-yl)aniline
SMILESCc1sc(-c2ccc(N)cc2)cc1Br
InChIInChI=1S/C11H10BrNS/c1-7-10(12)6-11(14-7)8-2-4-9(13)5-3-8/h2-6H,13H2,1H3
InChIKeySJVCCQYNLAMKKE-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)aniline?
The IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)aniline (CID 169490510) is 4-(4-bromo-5-methylthiophen-2-yl)aniline.
What is the SMILES notation for 4-(4-bromo-5-methylthiophen-2-yl)aniline?
The canonical SMILES for 4-(4-bromo-5-methylthiophen-2-yl)aniline is Cc1sc(-c2ccc(N)cc2)cc1Br.
What is the InChIKey of 4-(4-bromo-5-methylthiophen-2-yl)aniline?
The InChIKey is SJVCCQYNLAMKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-7-10(12)6-11(14-7)8-2-4-9(13)5-3-8/h2-6H,13H2,1H3.
What are the key properties of 4-(4-bromo-5-methylthiophen-2-yl)aniline?
4-(4-bromo-5-methylthiophen-2-yl)aniline has a molecular weight of 268.18 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-methylthiophen-2-yl)aniline is sourced from PubChem (CID 169490510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).