2-methylsulfanyldibenzothiophene-1,4-diamine

C13H12N2S2 — CID 68823377

IUPAC2-methylsulfanyldibenzothiophene-1,4-diamine
SMILESCSc1cc(N)c2sc3ccccc3c2c1N
InChIInChI=1S/C13H12N2S2/c1-16-10-6-8(14)13-11(12(10)15)7-4-2-3-5-9(7)17-13/h2-6H,14-15H2,1H3
InChIKeyZJLCNFGKTDODQT-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.94
Rot. Bonds1

About 2-methylsulfanyldibenzothiophene-1,4-diamine

2-methylsulfanyldibenzothiophene-1,4-diamine (PubChem CID 68823377) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 2-methylsulfanyldibenzothiophene-1,4-diamine.

Molecular Properties

Compound Name2-methylsulfanyldibenzothiophene-1,4-diamine
PubChem CID68823377
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name2-methylsulfanyldibenzothiophene-1,4-diamine
SMILESCSc1cc(N)c2sc3ccccc3c2c1N
InChIInChI=1S/C13H12N2S2/c1-16-10-6-8(14)13-11(12(10)15)7-4-2-3-5-9(7)17-13/h2-6H,14-15H2,1H3
InChIKeyZJLCNFGKTDODQT-UHFFFAOYSA-N
XLogP3.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylsulfanyldibenzothiophene-1,4-diamine?
The IUPAC name of 2-methylsulfanyldibenzothiophene-1,4-diamine (CID 68823377) is 2-methylsulfanyldibenzothiophene-1,4-diamine.
What is the SMILES notation for 2-methylsulfanyldibenzothiophene-1,4-diamine?
The canonical SMILES for 2-methylsulfanyldibenzothiophene-1,4-diamine is CSc1cc(N)c2sc3ccccc3c2c1N.
What is the InChIKey of 2-methylsulfanyldibenzothiophene-1,4-diamine?
The InChIKey is ZJLCNFGKTDODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-16-10-6-8(14)13-11(12(10)15)7-4-2-3-5-9(7)17-13/h2-6H,14-15H2,1H3.
What are the key properties of 2-methylsulfanyldibenzothiophene-1,4-diamine?
2-methylsulfanyldibenzothiophene-1,4-diamine has a molecular weight of 260.39 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyldibenzothiophene-1,4-diamine is sourced from PubChem (CID 68823377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).