2-(2-ethylthiophen-3-yl)benzene-1,4-diamine

C12H14N2S — CID 23287063

IUPAC2-(2-ethylthiophen-3-yl)benzene-1,4-diamine
SMILESCCc1sccc1-c1cc(N)ccc1N
InChIInChI=1S/C12H14N2S/c1-2-12-9(5-6-15-12)10-7-8(13)3-4-11(10)14/h3-7H,2,13-14H2,1H3
InChIKeyWRBYVHKQFODCBO-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.14
Rot. Bonds2

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

2-(2-ethylthiophen-3-yl)benzene-1,4-diamine (PubChem CID 23287063) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-ethylthiophen-3-yl)benzene-1,4-diamine
PubChem CID23287063
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-(2-ethylthiophen-3-yl)benzene-1,4-diamine
SMILESCCc1sccc1-c1cc(N)ccc1N
InChIInChI=1S/C12H14N2S/c1-2-12-9(5-6-15-12)10-7-8(13)3-4-11(10)14/h3-7H,2,13-14H2,1H3
InChIKeyWRBYVHKQFODCBO-UHFFFAOYSA-N
XLogP3.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.14
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-ethylthiophen-3-yl)benzene-1,4-diamine?
The IUPAC name of 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine (CID 23287063) is 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine is CCc1sccc1-c1cc(N)ccc1N.
What is the InChIKey of 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine?
The InChIKey is WRBYVHKQFODCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-12-9(5-6-15-12)10-7-8(13)3-4-11(10)14/h3-7H,2,13-14H2,1H3.
What are the key properties of 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine?
2-(2-ethylthiophen-3-yl)benzene-1,4-diamine has a molecular weight of 218.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiophen-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 23287063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).