Chemical Properties of Adenine, 2-(methylthio)- (CAS 1198-83-0)

Adenine, 2-(methylthio)-

InChI
InChI=1S/C6H7N5S/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H3,7,8,9,10,11)
InChI Key
FXGXEFXCWDTSQK-UHFFFAOYSA-N
Formula
C6H7N5S
SMILES
CSc1nc(N)c2[nH]cnc2n1
Molecular Weight1
181.22
CAS
1198-83-0
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Physical Properties

Property Value Unit Source
ω 0.5478 Relay (1.0) Calculated Property
ΔfG° 372.15 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 219.06 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 103.78 kJ/mol Relay (1.0) Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
log10WS -2.95 Relay (1.0) Calculated Property
logPoct/wat 0.175 Crippen Calculated Property
McVol 122.730 ml/mol McGowan Calculated Property
Pc 5357.54 kPa Relay (1.0-beta) Calculated Property
Tboil 618.37 K Relay (1.0) Calculated Property
Tc 955.02 K Relay (1.0) Calculated Property
Tfus 500.47 K Relay (1.0) Calculated Property
Vc 0.453 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Ethanol, 2-[(6-amino-9h-purin-2-yl)thio]-. isoguanine. Purine, 6-dimethylamino-2-methylthio-. Purine, 6-amino-2-dimethylamino-. Purine, 2-amino-6-methylamino-. Purine, 2-chloro-6-hydrazino-. Purine, 6-butylamino-2-methylthio-. Purine, 6-amino-2-hydroxy, TMS. Purine, 2,6-bis(methylamino)-. Purine, 6-amino, TMS. Adenine. Purine, 6-amino-8-mercapto, TMS. Purine, 6-dimethylamino-2-methylamino-. Purin-2-ol, 6-dimethylamino-. Purine, 2-butylamino-6-methylamino.

Find more compounds similar to Adenine, 2-(methylthio)-.

Sources

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