4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline

C11H9Cl2NS — CID 102765157

IUPAC4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
SMILESCc1cc(-c2cc(N)ccc2Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NS/c1-6-4-10(15-11(6)13)8-5-7(14)2-3-9(8)12/h2-5H,14H2,1H3
InChIKeyCNKFXBUVFHKCPQ-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.61
Rot. Bonds1

About 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline

4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline (PubChem CID 102765157) has the molecular formula C11H9Cl2NS and a molecular weight of 258.17 g/mol. Its IUPAC name is 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
PubChem CID102765157
Molecular FormulaC11H9Cl2NS
Molecular Weight258.17 g/mol
Exact Mass256.98
IUPAC Name4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
SMILESCc1cc(-c2cc(N)ccc2Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NS/c1-6-4-10(15-11(6)13)8-5-7(14)2-3-9(8)12/h2-5H,14H2,1H3
InChIKeyCNKFXBUVFHKCPQ-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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Related Compounds

3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765150
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
CID 102765129
5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
CID 102765138
4-chloro-3-thiophen-2-ylaniline
CID 61317798
3-(5-bromo-4-methylthiophen-2-yl)-4-methylaniline
CID 79995629
4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
CID 102765141
4-methyl-3-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197696
3,4-dichloroaniline;1,2-xylene
CID 174872012
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
8-(5-chloro-4-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102765132
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline?
The IUPAC name of 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline (CID 102765157) is 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline.
What is the SMILES notation for 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline?
The canonical SMILES for 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline is Cc1cc(-c2cc(N)ccc2Cl)sc1Cl.
What is the InChIKey of 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline?
The InChIKey is CNKFXBUVFHKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NS/c1-6-4-10(15-11(6)13)8-5-7(14)2-3-9(8)12/h2-5H,14H2,1H3.
What are the key properties of 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline?
4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline 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 4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline is sourced from PubChem (CID 102765157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).