6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine

C14H15NS — CID 70404778

IUPAC6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine
SMILESCSc1ccc2c3c(cccc13)CC(N)C2
InChIInChI=1S/C14H15NS/c1-16-13-6-5-10-8-11(15)7-9-3-2-4-12(13)14(9)10/h2-6,11H,7-8,15H2,1H3
InChIKeyOCIWTKHBXBQEPR-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.99
Rot. Bonds1

About 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine

6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine (PubChem CID 70404778) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine
PubChem CID70404778
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine
SMILESCSc1ccc2c3c(cccc13)CC(N)C2
InChIInChI=1S/C14H15NS/c1-16-13-6-5-10-8-11(15)7-9-3-2-4-12(13)14(9)10/h2-6,11H,7-8,15H2,1H3
InChIKeyOCIWTKHBXBQEPR-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine?
The IUPAC name of 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine (CID 70404778) is 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine.
What is the SMILES notation for 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine?
The canonical SMILES for 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine is CSc1ccc2c3c(cccc13)CC(N)C2.
What is the InChIKey of 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine?
The InChIKey is OCIWTKHBXBQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-16-13-6-5-10-8-11(15)7-9-3-2-4-12(13)14(9)10/h2-6,11H,7-8,15H2,1H3.
What are the key properties of 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine?
6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2,3-dihydro-1H-phenalen-2-amine is sourced from PubChem (CID 70404778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).