1,2-dimethyldibenzothiophene-3,7-diamine

C14H14N2S — CID 91022382

IUPAC1,2-dimethyldibenzothiophene-3,7-diamine
SMILESCc1c(N)cc2sc3cc(N)ccc3c2c1C
InChIInChI=1S/C14H14N2S/c1-7-8(2)14-10-4-3-9(15)5-12(10)17-13(14)6-11(7)16/h3-6H,15-16H2,1-2H3
InChIKeyBCDKZKQJVUSXNB-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.84
Rot. Bonds

About 1,2-dimethyldibenzothiophene-3,7-diamine

1,2-dimethyldibenzothiophene-3,7-diamine (PubChem CID 91022382) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1,2-dimethyldibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name1,2-dimethyldibenzothiophene-3,7-diamine
PubChem CID91022382
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1,2-dimethyldibenzothiophene-3,7-diamine
SMILESCc1c(N)cc2sc3cc(N)ccc3c2c1C
InChIInChI=1S/C14H14N2S/c1-7-8(2)14-10-4-3-9(15)5-12(10)17-13(14)6-11(7)16/h3-6H,15-16H2,1-2H3
InChIKeyBCDKZKQJVUSXNB-UHFFFAOYSA-N
XLogP3.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.84
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 1,2-dimethyldibenzothiophene-3,7-diamine?
The IUPAC name of 1,2-dimethyldibenzothiophene-3,7-diamine (CID 91022382) is 1,2-dimethyldibenzothiophene-3,7-diamine.
What is the SMILES notation for 1,2-dimethyldibenzothiophene-3,7-diamine?
The canonical SMILES for 1,2-dimethyldibenzothiophene-3,7-diamine is Cc1c(N)cc2sc3cc(N)ccc3c2c1C.
What is the InChIKey of 1,2-dimethyldibenzothiophene-3,7-diamine?
The InChIKey is BCDKZKQJVUSXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-7-8(2)14-10-4-3-9(15)5-12(10)17-13(14)6-11(7)16/h3-6H,15-16H2,1-2H3.
What are the key properties of 1,2-dimethyldibenzothiophene-3,7-diamine?
1,2-dimethyldibenzothiophene-3,7-diamine has a molecular weight of 242.35 g/mol, XLogP of 3.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyldibenzothiophene-3,7-diamine is sourced from PubChem (CID 91022382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).