thiochrome

Ligand id: 348

Name: thiochrome

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 86.91
Molecular weight 262.09
XLogP 1.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.0^{3,7}]trideca-1(13),2,5,9,11-pentaen-5-yl}ethan-1-ol
Synonyms
thiachrome
Database Links
CAS Registry No. 92-35-3 (source: NCI)
PubChem CID 66706
Search Google for chemical match using the InChIKey GTQXMAIXVFLYKF-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey GTQXMAIXVFLYKF-UHFFFAOYSA-N
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