propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate

Modify Date: 2025-09-18 11:08:40

propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate Structure
propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate structure
Common Name propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate
CAS Number 59921-61-8 Molecular Weight 404.35700
Density 1.72g/cm3 Boiling Point 580.9ºC at 760 mmHg
Molecular Formula C15H12N6O6S Melting Point N/A
MSDS N/A Flash Point 305.1ºC

 Names

Name propan-2-yl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate

 Chemical & Physical Properties

Density 1.72g/cm3
Boiling Point 580.9ºC at 760 mmHg
Molecular Formula C15H12N6O6S
Molecular Weight 404.35700
Flash Point 305.1ºC
Exact Mass 404.05400
PSA 197.70000
LogP 3.93210
Index of Refraction 1.767
InChIKey CAAWIOGGSZEECZ-UHFFFAOYSA-N
SMILES CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
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