(9H-Thioxanthene-9-carbonyl)-carbamic acid butyl ester

HCID 9840937
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Basic information

Standard SMILES
CCCCOC(=O)NC(=O)C1c2ccccc2Sc2ccccc21
InChIKey
SIJYKZKFNLGFHU-UHFFFAOYSA-N
Molecular formula
C19H19NO3S
Average molar mass
341.4 g/mol

Names & identifiers

Preferred name
(9H-Thioxanthene-9-carbonyl)-carbamic acid butyl ester
IUPAC
butyl N-(9H-thioxanthene-9-carbonyl)carbamate

Names & synonyms

SCHEMBL6865475SIJYKZKFNLGFHU-UHFFFAOYSA-N(9H-Thioxanthene-9-carbonyl)-carbamic acid butyl ester

Database identifiers

PubChem CID
9840937

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
80.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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