9H-thioxanthen-9-ylmethanamine

C14H13NS — CID 13167699

IUPAC9H-thioxanthen-9-ylmethanamine
SMILESNCC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H13NS/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
InChIKeyMYNBESFWFGVQQB-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.24
Rot. Bonds1

About 9H-thioxanthen-9-ylmethanamine

9H-thioxanthen-9-ylmethanamine (PubChem CID 13167699) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 9H-thioxanthen-9-ylmethanamine.

Molecular Properties

Compound Name9H-thioxanthen-9-ylmethanamine
PubChem CID13167699
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name9H-thioxanthen-9-ylmethanamine
SMILESNCC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H13NS/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
InChIKeyMYNBESFWFGVQQB-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-thioxanthen-9-ylmethanamine?
The IUPAC name of 9H-thioxanthen-9-ylmethanamine (CID 13167699) is 9H-thioxanthen-9-ylmethanamine.
What is the SMILES notation for 9H-thioxanthen-9-ylmethanamine?
The canonical SMILES for 9H-thioxanthen-9-ylmethanamine is NCC1c2ccccc2Sc2ccccc21.
What is the InChIKey of 9H-thioxanthen-9-ylmethanamine?
The InChIKey is MYNBESFWFGVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2.
What are the key properties of 9H-thioxanthen-9-ylmethanamine?
9H-thioxanthen-9-ylmethanamine has a molecular weight of 227.33 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thioxanthen-9-ylmethanamine is sourced from PubChem (CID 13167699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).