Chemical Properties of Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]- (CAS 13909-30-3)

Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-

InChI
InChI=1S/C11H12ClN3O4S/c12-5-6-15(14-19)11(18)13-8-1-3-9(4-2-8)20-7-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChI Key
HDWAURNNJRJXQP-UHFFFAOYSA-N
Formula
C11H12ClN3O4S
SMILES
O=NN(CCCl)C(=O)Nc1ccc(SCC(=O)O)cc1
Molecular Weight1
317.75
CAS
13909-30-3
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Physical Properties

Property Value Unit Source
ω 1.0392 Relay (1.0) Calculated Property
ΔfG° -83.22 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -418.50 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.76 kJ/mol Relay (1.0) Calculated Property
IE 8.02 eV Relay (1.0) Calculated Property
log10WS -3.25 Relay (1.0) Calculated Property
logPoct/wat 2.617 Crippen Calculated Property
McVol 211.200 ml/mol McGowan Calculated Property
Pc 3202.78 kPa Joback Calculated Property
Tboil 658.76 K Relay (1.0) Calculated Property
Tc 982.16 K Relay (1.0) Calculated Property
Tfus 411.76 K Relay (1.0) Calculated Property
Vc 0.714 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

[4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Benzoic acid, p-[3-(2-chloroethyl)-3-nitrosoureido]-. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Uridine, 5-methyl-. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,5,6-trimethyl-7-phenyl. 5-methyluridine, 2',3',5'-tris(O-TMSi). 5-Methyluridine, tris(trimethylsilyl) deriv.. Metergoline. 5-Methyluridine, tris(trifluoroacetate). Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl. Mirtazapine-M (nor-HO-) 2AC. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-.

Sources

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