Chemical Properties of Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]- (CAS 98949-69-0)

Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]-

InChI
InChI=1S/C9H11N5OS/c1-6(15)10-2-3-16-9-7-8(12-4-11-7)13-5-14-9/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13,14)
InChI Key
DCIFSSOGORASHV-UHFFFAOYSA-N
Formula
C9H11N5OS
SMILES
CC(=O)NCCSc1ncnc2[nH]cnc12
Molecular Weight1
237.28
CAS
98949-69-0
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Physical Properties

Property Value Unit Source
ω 0.6499 Relay (1.0) Calculated Property
ΔfG° 271.90 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 65.21 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.64 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -2.43 Relay (1.0) Calculated Property
logPoct/wat 0.099 Crippen Calculated Property
McVol 166.570 ml/mol McGowan Calculated Property
Pc 4276.10 kPa Relay (1.0-beta) Calculated Property
Tboil 645.74 K Relay (1.0) Calculated Property
Tc 984.80 K Relay (1.0) Calculated Property
Tfus 455.55 K Relay (1.0) Calculated Property
Vc 0.604 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Urea, 1-[2-[9h-(purin-6-yl)thio]ethyl]-. Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-. Levophacetoperane. Beclomethasone, tetra-TMS. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. 5,6-Dihydrouracil riboside, TMS. 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. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. cyclomegistine. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Acetamide, n-[2-(9h-purin-6-yl-thio)ethyl]-.

Sources

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