Chemical Properties of Urea, 1-methyl-1-nitroso-3-[2-(purin-8-ylthio)ethyl]-

Urea, 1-methyl-1-nitroso-3-[2-(purin-8-ylthio)ethyl]-

InChI
InChI=1S/C9H11N7O2S/c1-16(15-18)9(17)11-2-3-19-8-13-6-4-10-5-12-7(6)14-8/h4-5H,2-3H2,1H3,(H,11,17)(H,10,12,13,14)
InChI Key
QADBTACKEOHKRM-UHFFFAOYSA-N
Formula
C9H11N7O2S
SMILES
CN(N=O)C(=O)NCCSc1nc2ncncc2[nH]1
Molecular Weight1
281.29
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Physical Properties

Property Value Unit Source
ω 0.8533 Relay (1.0) Calculated Property
ΔfG° 421.81 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 175.48 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 126.00 kJ/mol Relay (1.0) Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
log10WS -2.84 Relay (1.0) Calculated Property
logPoct/wat 0.286 Crippen Calculated Property
McVol 188.100 ml/mol McGowan Calculated Property
Pc 4439.47 kPa Relay (1.0-beta) Calculated Property
Tboil 652.46 K Relay (1.0) Calculated Property
Tc 1049.30 K Relay (1.0) Calculated Property
Tfus 482.94 K Relay (1.0) Calculated Property
Vc 0.697 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Urea, 1-methyl-3-[2-(purin-8-ylthio)ethyl]-. Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 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. cis-1,2-Tetralinediol, ferrocenylboronate. cyclomegistine.

Find more compounds similar to Urea, 1-methyl-1-nitroso-3-[2-(purin-8-ylthio)ethyl]-.

Sources

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