4-methyl-3-thiophen-3-ylaniline;hydrochloride

C11H12ClNS — CID 126809403

IUPAC4-methyl-3-thiophen-3-ylaniline;hydrochloride
SMILESCc1ccc(N)cc1-c1ccsc1.Cl
InChIInChI=1S/C11H11NS.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-7H,12H2,1H3;1H
InChIKeyRBBDZSUMZAAHMN-UHFFFAOYSA-N
MW225.74 g/mol
LogP3.73
Rot. Bonds1

About 4-methyl-3-thiophen-3-ylaniline;hydrochloride

4-methyl-3-thiophen-3-ylaniline;hydrochloride (PubChem CID 126809403) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 4-methyl-3-thiophen-3-ylaniline;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-thiophen-3-ylaniline;hydrochloride
PubChem CID126809403
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name4-methyl-3-thiophen-3-ylaniline;hydrochloride
SMILESCc1ccc(N)cc1-c1ccsc1.Cl
InChIInChI=1S/C11H11NS.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-7H,12H2,1H3;1H
InChIKeyRBBDZSUMZAAHMN-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.73
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-methyl-3-thiophen-3-ylaniline;hydrochloride?
The IUPAC name of 4-methyl-3-thiophen-3-ylaniline;hydrochloride (CID 126809403) is 4-methyl-3-thiophen-3-ylaniline;hydrochloride.
What is the SMILES notation for 4-methyl-3-thiophen-3-ylaniline;hydrochloride?
The canonical SMILES for 4-methyl-3-thiophen-3-ylaniline;hydrochloride is Cc1ccc(N)cc1-c1ccsc1.Cl.
What is the InChIKey of 4-methyl-3-thiophen-3-ylaniline;hydrochloride?
The InChIKey is RBBDZSUMZAAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-7H,12H2,1H3;1H.
What are the key properties of 4-methyl-3-thiophen-3-ylaniline;hydrochloride?
4-methyl-3-thiophen-3-ylaniline;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-thiophen-3-ylaniline;hydrochloride is sourced from PubChem (CID 126809403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).