Chemical Properties of Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]- (CAS 90642-35-6)

Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-

InChI
InChI=1S/C9H11N7O2S/c1-16(15-18)9(17)10-2-3-19-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,10,17)(H,11,12,13,14)
InChI Key
KNBAVCNFOCPHPD-UHFFFAOYSA-N
Formula
C9H11N7O2S
SMILES
CN(N=O)C(=O)NCCSc1ncnc2[nH]cnc12
Molecular Weight1
281.29
CAS
90642-35-6
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Physical Properties

Property Value Unit Source
ω 0.8584 Relay (1.0) Calculated Property
ΔfG° 418.67 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 196.93 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 120.20 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -3.06 Relay (1.0) Calculated Property
logPoct/wat 0.286 Crippen Calculated Property
McVol 188.100 ml/mol McGowan Calculated Property
Pc 4136.14 kPa Relay (1.0-beta) Calculated Property
Tboil 656.90 K Relay (1.0) Calculated Property
Tc 1041.50 K Relay (1.0) Calculated Property
Tfus 479.20 K Relay (1.0) Calculated Property
Vc 0.697 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Urea, 1-[2-[9h-(purin-6-yl)thio]ethyl]-. Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]-. 5-Methyluridine, tris(trimethylsilyl) deriv.. 5-methyluridine, 2',3',5'-tris(O-TMSi). 7-acetyl-9-curassavoylheliotridine. Retroisosenine. Hydrastine. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline.

Find more compounds similar to Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-.

Sources

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