Basic Information | Post buying leads | Suppliers |
Name |
N-(2-Methyl-5-nitrophenylcarbamothioyl)acetamide |
EINECS | N/A |
CAS No. | 72621-59-1 | Density | 1.399 g/cm3 |
PSA | 129.57000 | LogP | 3.32010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11N3O3S | Boiling Point | N/A |
Molecular Weight | 253.282 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(2-methyl-5-nitrophenylcarbamothioyl)acetamide; |
The N-(2-Methyl-5-nitrophenylcarbamothioyl)acetamide with the cas number 72621-59-1 is also called Acetamide,N-[[(2-methyl-5-nitrophenyl)amino]thioxomethyl]-. Its molecular formula is C10H11N3O3S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.65; (6)ACD/BCF (pH 7.4): 16.5; (7)ACD/KOC (pH 5.5): 260.53; (8)ACD/KOC (pH 7.4): 258.15; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 101.46 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 67.41 cm3; (15)Molar Volume: 180.9 cm3; (16)Polarizability: 26.72×10-24cm3; (17)Surface Tension: 67.3 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cc(ccc1C)[N+]([O-])=O)NC(=O)C
(2)InChI: InChI=1/C10H11N3O3S/c1-6-3-4-8(13(15)16)5-9(6)12-10(17)11-7(2)14/h3-5H,1-2H3,(H2,11,12,14,17)
(3)InChIKey: CDPXNPNSPNMGCJ-UHFFFAOYAE