Chemical Properties of Semicarbazide, 1-(9h-purin-6-yl)-3-thio (CAS 25732-31-4)

Semicarbazide, 1-(9h-purin-6-yl)-3-thio

InChI
InChI=1S/C6H7N7S/c7-6(14)13-12-5-3-4(9-1-8-3)10-2-11-5/h1-2H,(H3,7,13,14)(H2,8,9,10,11,12)
InChI Key
GUHAIBVGJPPBOC-UHFFFAOYSA-N
Formula
C6H7N7S
SMILES
NC(=S)NNc1ncnc2[nH]cnc12
Molecular Weight1
209.23
CAS
25732-31-4
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Physical Properties

Property Value Unit Source
ω 0.7058 Relay (1.0) Calculated Property
ΔfG° 459.10 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 352.42 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 130.98 kJ/mol Relay (1.0) Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
log10WS -3.88 Relay (1.0) Calculated Property
logPoct/wat -0.969 Crippen Calculated Property
McVol 138.390 ml/mol McGowan Calculated Property
Pc 6676.20 kPa Relay (1.0-beta) Calculated Property
Tboil 637.77 K Relay (1.0) Calculated Property
Tc 1069.58 K Relay (1.0) Calculated Property
Tfus 602.31 K Relay (1.0) Calculated Property
Vc 0.481 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine, 6-[4-methyl-3-thiosemicarbazido]-. 9H-purine, 6-hydrazino-. Benzaldehyde, p-(dimethylamino)-, 9h-purin-6-yl hydrazone. Pyruvic acid, 9h-purin-6-yl-hydrazone. Adenine, n-[o-(methylthio)phenyl]-. Acetone, purin-6-yl hydrazone. Purine, 6-[p-(beta-chloroethylthio)anilino]-. Adenine, n-[p-(methylthio)phenyl]-. 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-isopropylsilyl. 2'-Deoxyadenosine, 3',5'-bis(O-TMTBSi). O,O,O-Tris(tert-butyldimethylsilyl)uridine. Uridine, 2'-O-TBDMS, 3',5'-bis-O-TMS. Uridine, 2'-O-TMS, 3',5'-bis-TBDMS. 2',3'-Bis-(trimethylsiloxy)-5'-(tert-butyldimethylsiloxy)-uridine. Uridine, 3',5'-bis-O-TBDMS.

Find more compounds similar to Semicarbazide, 1-(9h-purin-6-yl)-3-thio.

Sources

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