Chemical Properties of 6-Aza-2-thiothymine (CAS 615-76-9)

6-Aza-2-thiothymine

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InChI
InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChI Key
NKOPQOSBROLOFP-UHFFFAOYSA-N
Formula
C4H5N3OS
SMILES
Cc1n[nH]c(=S)[nH]c1=O
Molecular Weight1
143.17
CAS
615-76-9
Other Names
  • 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-methyl-3-thioxo-
  • 2-thio-6-azathymine
  • 3-mercapto-6-methyl-1,2,4-triazin-5(2H)-one
  • 6-Azathiothymine
  • 6-Methyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine
  • 6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
  • as-Triazin-5-ol, 3-mercapto-6-methyl-
  • as-Triazine-3,5(2H,4H)-dione, 6-methyl-3-thio-
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Physical Properties

Property Value Unit Source
log10WS -0.42 Crippen Calculated Property
logPoct/wat -0.828 Crippen Calculated Property
McVol 95.620 ml/mol McGowan Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 120.10 kJ/mol 298.15 Experim...

Similar Compounds

6-Azathymine. Methyl 7-(4-nitrophenyl)norcaradiene-7-carboxylate. Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-. RTI 3. Sertraline, acetyl. Fenalamide. N-(2-Furylmethyl)-N-tert-butyldimethylsilyl-9H-purin-6-amine. (.+/-.)-Isoboldine. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. N-Methyllaurotetanine. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS. 4'-Hydroxystanozolol (5A-Androstan-17A-methyl-4',17B-diol-3,2c-pyrazol), TMS. Phenindamine. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Estra-1,3,5(10),7-tetraene-3,17-diol, (17«alpha»)-.

Find more compounds similar to 6-Aza-2-thiothymine.

Sources

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