1,2-dithiophen-2-ylethane-1,2-diamine

C10H12N2S2 — CID 130155779

IUPAC1,2-dithiophen-2-ylethane-1,2-diamine
SMILESNC(c1cccs1)C(N)c1cccs1
InChIInChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2
InChIKeyQOYHIHWLSZYWFP-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.51
Rot. Bonds3

About 1,2-dithiophen-2-ylethane-1,2-diamine

1,2-dithiophen-2-ylethane-1,2-diamine (PubChem CID 130155779) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,2-dithiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1,2-dithiophen-2-ylethane-1,2-diamine
PubChem CID130155779
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name1,2-dithiophen-2-ylethane-1,2-diamine
SMILESNC(c1cccs1)C(N)c1cccs1
InChIInChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2
InChIKeyQOYHIHWLSZYWFP-UHFFFAOYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dithiophen-2-ylethane-1,2-diamine?
The IUPAC name of 1,2-dithiophen-2-ylethane-1,2-diamine (CID 130155779) is 1,2-dithiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for 1,2-dithiophen-2-ylethane-1,2-diamine?
The canonical SMILES for 1,2-dithiophen-2-ylethane-1,2-diamine is NC(c1cccs1)C(N)c1cccs1.
What is the InChIKey of 1,2-dithiophen-2-ylethane-1,2-diamine?
The InChIKey is QOYHIHWLSZYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2.
What are the key properties of 1,2-dithiophen-2-ylethane-1,2-diamine?
1,2-dithiophen-2-ylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dithiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 130155779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).