2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline

C11H9Cl2NS — CID 104668336

IUPAC2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2NS/c1-6-4-9(14)8(12)5-7(6)10-2-3-11(13)15-10/h2-5H,14H2,1H3
InChIKeyQBHWKYPHZFLBBQ-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.61
Rot. Bonds1

About 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline

2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline (PubChem CID 104668336) has the molecular formula C11H9Cl2NS and a molecular weight of 258.17 g/mol. Its IUPAC name is 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline
PubChem CID104668336
Molecular FormulaC11H9Cl2NS
Molecular Weight258.17 g/mol
Exact Mass256.98
IUPAC Name2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2NS/c1-6-4-9(14)8(12)5-7(6)10-2-3-11(13)15-10/h2-5H,14H2,1H3
InChIKeyQBHWKYPHZFLBBQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.61
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 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline?
The IUPAC name of 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline (CID 104668336) is 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline is Cc1cc(N)c(Cl)cc1-c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline?
The InChIKey is QBHWKYPHZFLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NS/c1-6-4-9(14)8(12)5-7(6)10-2-3-11(13)15-10/h2-5H,14H2,1H3.
What are the key properties of 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline?
2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline has a molecular weight of 258.17 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline is sourced from PubChem (CID 104668336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).