2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride

C10H11Cl3N2S — CID 23287157

IUPAC2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N)c(-c2ccsc2Cl)c1
InChIInChI=1S/C10H9ClN2S.2ClH/c11-10-7(3-4-14-10)8-5-6(12)1-2-9(8)13;;/h1-5H,12-13H2;2*1H
InChIKeyOCRREHYXTNEHTI-UHFFFAOYSA-N
MW297.64 g/mol
LogP4.08
Rot. Bonds1

About 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride

2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride (PubChem CID 23287157) has the molecular formula C10H11Cl3N2S and a molecular weight of 297.64 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride
PubChem CID23287157
Molecular FormulaC10H11Cl3N2S
Molecular Weight297.64 g/mol
Exact Mass295.97
IUPAC Name2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(N)c(-c2ccsc2Cl)c1
InChIInChI=1S/C10H9ClN2S.2ClH/c11-10-7(3-4-14-10)8-5-6(12)1-2-9(8)13;;/h1-5H,12-13H2;2*1H
InChIKeyOCRREHYXTNEHTI-UHFFFAOYSA-N
XLogP4.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride?
The IUPAC name of 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride (CID 23287157) is 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride is Cl.Cl.Nc1ccc(N)c(-c2ccsc2Cl)c1.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride?
The InChIKey is OCRREHYXTNEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S.2ClH/c11-10-7(3-4-14-10)8-5-6(12)1-2-9(8)13;;/h1-5H,12-13H2;2*1H.
What are the key properties of 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride?
2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride has a molecular weight of 297.64 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)benzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 23287157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).