9-methylimino-5,10a-dihydrothioxanthen-1-amine

C14H14N2S — CID 166806582

IUPAC9-methylimino-5,10a-dihydrothioxanthen-1-amine
SMILESC/N=C1\C2=CC=CCC2Sc2cccc(N)c21
InChIInChI=1S/C14H14N2S/c1-16-14-9-5-2-3-7-11(9)17-12-8-4-6-10(15)13(12)14/h2-6,8,11H,7,15H2,1H3/b16-14+
InChIKeyFMERITQPULTLHK-JQIJEIRASA-N
MW242.35 g/mol
LogP3.05
Rot. Bonds

About 9-methylimino-5,10a-dihydrothioxanthen-1-amine

9-methylimino-5,10a-dihydrothioxanthen-1-amine (PubChem CID 166806582) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 9-methylimino-5,10a-dihydrothioxanthen-1-amine.

Molecular Properties

Compound Name9-methylimino-5,10a-dihydrothioxanthen-1-amine
PubChem CID166806582
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name9-methylimino-5,10a-dihydrothioxanthen-1-amine
SMILESC/N=C1\C2=CC=CCC2Sc2cccc(N)c21
InChIInChI=1S/C14H14N2S/c1-16-14-9-5-2-3-7-11(9)17-12-8-4-6-10(15)13(12)14/h2-6,8,11H,7,15H2,1H3/b16-14+
InChIKeyFMERITQPULTLHK-JQIJEIRASA-N
XLogP3.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylimino-5,10a-dihydrothioxanthen-1-amine?
The IUPAC name of 9-methylimino-5,10a-dihydrothioxanthen-1-amine (CID 166806582) is 9-methylimino-5,10a-dihydrothioxanthen-1-amine.
What is the SMILES notation for 9-methylimino-5,10a-dihydrothioxanthen-1-amine?
The canonical SMILES for 9-methylimino-5,10a-dihydrothioxanthen-1-amine is C/N=C1\C2=CC=CCC2Sc2cccc(N)c21.
What is the InChIKey of 9-methylimino-5,10a-dihydrothioxanthen-1-amine?
The InChIKey is FMERITQPULTLHK-JQIJEIRASA-N. The full InChI is InChI=1S/C14H14N2S/c1-16-14-9-5-2-3-7-11(9)17-12-8-4-6-10(15)13(12)14/h2-6,8,11H,7,15H2,1H3/b16-14+.
What are the key properties of 9-methylimino-5,10a-dihydrothioxanthen-1-amine?
9-methylimino-5,10a-dihydrothioxanthen-1-amine has a molecular weight of 242.35 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylimino-5,10a-dihydrothioxanthen-1-amine is sourced from PubChem (CID 166806582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).