3-(2-chlorophenyl)-5-methylthiophen-2-amine

C11H10ClNS — CID 57040129

IUPAC3-(2-chlorophenyl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2ccccc2Cl)c(N)s1
InChIInChI=1S/C11H10ClNS/c1-7-6-9(11(13)14-7)8-4-2-3-5-10(8)12/h2-6H,13H2,1H3
InChIKeyOYOCLAPJLDGQLD-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.96
Rot. Bonds1

About 3-(2-chlorophenyl)-5-methylthiophen-2-amine

3-(2-chlorophenyl)-5-methylthiophen-2-amine (PubChem CID 57040129) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methylthiophen-2-amine
PubChem CID57040129
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name3-(2-chlorophenyl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2ccccc2Cl)c(N)s1
InChIInChI=1S/C11H10ClNS/c1-7-6-9(11(13)14-7)8-4-2-3-5-10(8)12/h2-6H,13H2,1H3
InChIKeyOYOCLAPJLDGQLD-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-5-methylthiophen-2-amine (CID 57040129) is 3-(2-chlorophenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-5-methylthiophen-2-amine is Cc1cc(-c2ccccc2Cl)c(N)s1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methylthiophen-2-amine?
The InChIKey is OYOCLAPJLDGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-6-9(11(13)14-7)8-4-2-3-5-10(8)12/h2-6H,13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-methylthiophen-2-amine?
3-(2-chlorophenyl)-5-methylthiophen-2-amine has a molecular weight of 223.73 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 57040129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).