4-methyl-3-thiophen-3-ylaniline

C11H11NS — CID 65100657

IUPAC4-methyl-3-thiophen-3-ylaniline
SMILESCc1ccc(N)cc1-c1ccsc1
InChIInChI=1S/C11H11NS/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-7H,12H2,1H3
InChIKeyMMVXLWTTYLAYCE-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.31
Rot. Bonds1

About 4-methyl-3-thiophen-3-ylaniline

4-methyl-3-thiophen-3-ylaniline (PubChem CID 65100657) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-methyl-3-thiophen-3-ylaniline.

Molecular Properties

Compound Name4-methyl-3-thiophen-3-ylaniline
PubChem CID65100657
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-methyl-3-thiophen-3-ylaniline
SMILESCc1ccc(N)cc1-c1ccsc1
InChIInChI=1S/C11H11NS/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-7H,12H2,1H3
InChIKeyMMVXLWTTYLAYCE-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.31
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?
The IUPAC name of 4-methyl-3-thiophen-3-ylaniline (CID 65100657) is 4-methyl-3-thiophen-3-ylaniline.
What is the SMILES notation for 4-methyl-3-thiophen-3-ylaniline?
The canonical SMILES for 4-methyl-3-thiophen-3-ylaniline is Cc1ccc(N)cc1-c1ccsc1.
What is the InChIKey of 4-methyl-3-thiophen-3-ylaniline?
The InChIKey is MMVXLWTTYLAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-7H,12H2,1H3.
What are the key properties of 4-methyl-3-thiophen-3-ylaniline?
4-methyl-3-thiophen-3-ylaniline has a molecular weight of 189.28 g/mol, XLogP of 3.31, 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 is sourced from PubChem (CID 65100657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).