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Home > Encyclopedia > 2-Thioxo-7-deazahypoxanthine

2-Thioxo-7-deazahypoxanthine

2-Thioxo-7-deazahypoxanthine structure

2-Thioxo-7-deazahypoxanthine 

structure
  • CAS No:

    67831-84-9

  • Formula:

    C6H5N3OS

  • Chemical Name:

    2-Thioxo-7-deazahypoxanthine

  • Synonyms:

    4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo-;7H-Pyrrolo[2,3-d]pyrimidin-4-ol,2-mercapto-;1,2,3,7-Tetrahydro-2-thioxo-4H-pyrrolo[2,3-d]pyrimidin-4-one;2-Thioxo-7-deazahypoxanthine;NSC 25976;2-Mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol;2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one;2-Sulfanylidene-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one;2-Sulfanyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one;2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol;2-Sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-Thioxo-7-deazahypoxanthine Basic Attributes

167.18800

167.19

25976

DTXSID10399215

2933990090

Characteristics

100.34000

0.53990

1.65g/cm3

1.778

Safety Information

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.19
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:167.01533297
Monoisotopic Mass:167.01533297
Topological Polar Surface Area:89
Heavy Atom Count:11
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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