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]-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
Sources

Physical Properties

Property Value Unit Source
Δfgas -443.76 kJ/mol Joback Calculated Property
Δvap 101.97 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 3202.78 kPa Joback Calculated Property
Tboil 914.88 K Joback Calculated Property
Tc 1135.60 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-S- 1
-Cl 1
-N= 1
=CH- (ring) 4
-OH (alcohol) 1
>N- 1
=C< (ring) 2
-CH2- 3
>NH 1
=O 1
>C=O (nonring) 2

Similar Compounds

Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-hydroxyethyl)-3-nitroso-. Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]-. Urea], 1,1'-p-phenylene-bis[3-methyl-3-nitroso-. Benzoic acid, p-(3-methyl-3-nitrosoureido)-. Urea, 3-(p-methoxyphenyl)-1-methyl-1-nitroso-. Urea, 3-(p-fluorophenyl)-1-methyl-1-nitroso-. Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-. Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.