2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine

C17H19N3S — CID 71037971

IUPAC2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1cccc2sc3ccccc3c12)N(C)C
InChIInChI=1S/C17H19N3S/c1-19(2)17(20(3)4)18-13-9-7-11-15-16(13)12-8-5-6-10-14(12)21-15/h5-11H,1-4H3
InChIKeyQXQKAZGSVTYQEG-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.17
Rot. Bonds1

About 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine

2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine (PubChem CID 71037971) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine
PubChem CID71037971
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1cccc2sc3ccccc3c12)N(C)C
InChIInChI=1S/C17H19N3S/c1-19(2)17(20(3)4)18-13-9-7-11-15-16(13)12-8-5-6-10-14(12)21-15/h5-11H,1-4H3
InChIKeyQXQKAZGSVTYQEG-UHFFFAOYSA-N
XLogP4.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[9-[bis(dimethylamino)methylideneamino]dibenzothiophen-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037975
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
1-methyldibenzothiophene
CID 23839
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
bis(dibenzothiophene);ethane
CID 143921746
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
1-phenyldibenzothiophene;hydrobromide
CID 174679709
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
dibenzothiophene;methane
CID 162233710
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
1-(methoxymethyl)dibenzothiophene
CID 174808935

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine (CID 71037971) is 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine is CN(C)C(=Nc1cccc2sc3ccccc3c12)N(C)C.
What is the InChIKey of 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine?
The InChIKey is QXQKAZGSVTYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-19(2)17(20(3)4)18-13-9-7-11-15-16(13)12-8-5-6-10-14(12)21-15/h5-11H,1-4H3.
What are the key properties of 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine?
2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine has a molecular weight of 297.43 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 71037971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).