6-[(3-nitrophenyl)methylsulfanyl]-5H-purine

Modify Date: 2025-10-05 09:28:10

6-[(3-nitrophenyl)methylsulfanyl]-5H-purine Structure
6-[(3-nitrophenyl)methylsulfanyl]-5H-purine structure
Common Name 6-[(3-nitrophenyl)methylsulfanyl]-5H-purine
CAS Number 5069-70-5 Molecular Weight 287.29700
Density 1.6g/cm3 Boiling Point 489.3ºC at 760 mmHg
Molecular Formula C12H9N5O2S Melting Point N/A
MSDS N/A Flash Point 249.7ºC

 Names

Name 6-[(3-nitrophenyl)methylsulfanyl]-7H-purine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6g/cm3
Boiling Point 489.3ºC at 760 mmHg
Molecular Formula C12H9N5O2S
Molecular Weight 287.29700
Flash Point 249.7ºC
Exact Mass 287.04800
PSA 125.58000
LogP 3.07660
Index of Refraction 1.791
InChIKey FNVOBLSMDWVABY-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cccc(CSc2ncnc3nc[nH]c23)c1

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

6-(3-nitro-benzylmercapto)-7(9)H-purine
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