4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine

C10H8Cl2N2S — CID 61319033

IUPAC4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine
SMILESNc1ccc(-c2cc(Cl)sc2Cl)c(N)c1
InChIInChI=1S/C10H8Cl2N2S/c11-9-4-7(10(12)15-9)6-2-1-5(13)3-8(6)14/h1-4H,13-14H2
InChIKeyDPQSUUNZOLCQRJ-UHFFFAOYSA-N
MW259.16 g/mol
LogP3.89
Rot. Bonds1

About 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine

4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine (PubChem CID 61319033) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine
PubChem CID61319033
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine
SMILESNc1ccc(-c2cc(Cl)sc2Cl)c(N)c1
InChIInChI=1S/C10H8Cl2N2S/c11-9-4-7(10(12)15-9)6-2-1-5(13)3-8(6)14/h1-4H,13-14H2
InChIKeyDPQSUUNZOLCQRJ-UHFFFAOYSA-N
XLogP3.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 53.89
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 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine (CID 61319033) is 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine is Nc1ccc(-c2cc(Cl)sc2Cl)c(N)c1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine?
The InChIKey is DPQSUUNZOLCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c11-9-4-7(10(12)15-9)6-2-1-5(13)3-8(6)14/h1-4H,13-14H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine?
4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine has a molecular weight of 259.16 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 61319033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).