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1,3-Dimethyl-2,7-Dihydro-8-(Hexylthio)-2-Thioxo-1H-Purin-6(3H)-One
[CAS# 4869-71-0]

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Identification
Name 1,3-Dimethyl-2,7-Dihydro-8-(Hexylthio)-2-Thioxo-1H-Purin-6(3H)-One
Synonyms 8-Hexylsulfanyl-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Hexylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 2-Thio-8-N-Hexylthiotheophylline
Molecular Structure CAS#: 4869-71-0, 1,3-Dimethyl-2,7-Dihydro-8-(Hexylthio)-2-Thioxo-1H-Purin-6(3H)-One
Molecular Formula C13H20N4OS2
Molecular Weight 312.45
CAS Registry Number 4869-71-0
SMILES C(SC2=NC1=C(C(N(C)C(N1C)=S)=O)[NH]2)CCCCC
InChI 1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15)
InChIKey NKQXGATZTNBEET-UHFFFAOYSA-N
Properties
Density 1.323g/cm3 (Cal.)
Boiling point 497.859°C at 760 mmHg (Cal.)
Flash point 254.896°C (Cal.)
Market Analysis Reports
List of Reports Available for 1,3-Dimethyl-2,7-Dihydro-8-(Hexylthio)-2-Thioxo-1H-Purin-6(3H)-One
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