ethyl N-(9H-thioxanthen-9-yl)carbamate

C16H15NO2S — CID 678611

IUPACethyl N-(9H-thioxanthen-9-yl)carbamate
SMILESCCOC(=O)NC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H15NO2S/c1-2-19-16(18)17-15-11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,17,18)
InChIKeyKJJGBDBZTCRGAD-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.99
Rot. Bonds2

About ethyl N-(9H-thioxanthen-9-yl)carbamate

ethyl N-(9H-thioxanthen-9-yl)carbamate (PubChem CID 678611) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl N-(9H-thioxanthen-9-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(9H-thioxanthen-9-yl)carbamate
PubChem CID678611
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Nameethyl N-(9H-thioxanthen-9-yl)carbamate
SMILESCCOC(=O)NC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H15NO2S/c1-2-19-16(18)17-15-11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,17,18)
InChIKeyKJJGBDBZTCRGAD-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(9H-thioxanthen-9-yl)carbamate?
The IUPAC name of ethyl N-(9H-thioxanthen-9-yl)carbamate (CID 678611) is ethyl N-(9H-thioxanthen-9-yl)carbamate.
What is the SMILES notation for ethyl N-(9H-thioxanthen-9-yl)carbamate?
The canonical SMILES for ethyl N-(9H-thioxanthen-9-yl)carbamate is CCOC(=O)NC1c2ccccc2Sc2ccccc21.
What is the InChIKey of ethyl N-(9H-thioxanthen-9-yl)carbamate?
The InChIKey is KJJGBDBZTCRGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-19-16(18)17-15-11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,17,18).
What are the key properties of ethyl N-(9H-thioxanthen-9-yl)carbamate?
ethyl N-(9H-thioxanthen-9-yl)carbamate has a molecular weight of 285.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(9H-thioxanthen-9-yl)carbamate is sourced from PubChem (CID 678611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).