7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one

Modify Date: 2025-09-21 17:12:35

7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one Structure
7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one structure
 Common Name 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
CAS Number 92985-74-5 Molecular Weight 224.28300
Density N/A Boiling Point N/A
Molecular Formula C9H12N4OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H12N4OS
Molecular Weight 224.28300
Exact Mass 224.07300
PSA 76.84000
LogP 0.82290
InChIKey XOEZCGWUTRAKSF-UHFFFAOYSA-N
SMILES CCn1cnc2c1c(=S)n(C)c(=O)n2C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5621000
CHEMICAL NAME :
Theophylline, 7-ethyl-6-thio-
CAS REGISTRY NUMBER :
92985-74-5
BEILSTEIN REFERENCE NO. :
0532656
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O-S
MOLECULAR WEIGHT :
224.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
515 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961

 Synonyms

M &M B 6631
1,3-Dimethyl-7-aethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin
Theophylline,7-ethyl-6-thio
7-Ethyl-6-thiotheophylline
7-ethyl-1,3-dimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
B 6631
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Chemsrc provides CAS#:92985-74-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one>> amp version: 7-ethyl-1,3-dimethyl-6-sulfanylidenepurin-2-one

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