7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Base Information

• Chemical Name: 7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
• CAS No.: 335403-18-4
• Molecular Formula: C9H12 N4 O2 S
• Molecular Weight: 240.28
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40356699
• Wikidata: Q82136227
• ChEMBL ID: CHEMBL4063576
• Mol file: 335403-18-4.mol

Synonyms:335403-18-4;7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;7-ethyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione;7-Ethyl-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;7-ETHYL-8-MERCAPTO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;Oprea1_494023;CHEMBL4063576;DTXSID40356699;NSC817975;STK869195;AKOS000296799;NSC-817975;CS-0367506;FT-0677239;SR-01000325327;SR-01000325327-1;7-ethyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione;7-Ethyl-1,3-dimethyl-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione

Chemical Property of 7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 0.000418mmHg at 25°C
• Boiling Point: 316.2 °C at 760 mmHg
• Flash Point: 145 °C
• PSA: 100.62000
• Density: 1.5 g/cm³
• LogP: -0.25770
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.06809681
• Heavy Atom Count: 16
• Complexity: 431

Purity/Quality:

98%min ^*data from raw suppliers

7-Ethyl-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

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