- 4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone
- 4-(9-Acridinyl)-2-methyl-3-thiosemicarbazide
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| Name |
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone |
EINECS | N/A |
| CAS No. | 29023-85-6 | Density | 1.2g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H18 N4 S | Boiling Point | 495.9°Cat760mmHg |
| Molecular Weight | 322.46 | Flash Point | 253.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison by ingestion. |
| Synonyms |
Acetone,4-(9-acridinyl)-2-methyl-3-thiosemicarbazone (8CI); Semicarbazide, 4-(9-acridinyl)-1-isopropylidene-2-methyl-3-thio-(8CI) |
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone Chemical Properties
Molecule structure of 4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone (CAS NO.29023-85-6) :
IUPAC Name: 3-acridin-9-yl-1-methyl-1-(propan-2-ylideneamino)thiourea
Molecular Weight: 322.42732 g/mol
Molecular Formula: C18H18N4S
Density: 1.2 g/cm3
Boiling Point: 495.9 °C at 760 mmHg
Flash Point: 253.7 °C
Molar Volume: 267.8 cm3
Polarizability: 38.74*10-24 cm3
Surface Tension: 42.6 dyne/cm
Enthalpy of Vaporization: 76.35 kJ/mol
Vapour Pressure: 5.68E-10 mmHg at 25 °C
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 322.125217
MonoIsotopic Mass: 322.125217
Topological Polar Surface Area: 40.5
Heavy Atom Count: 23
Complexity: 438
Canonical SMILES: CC(=NN(C)C(=S)NC1=C2C=CC=CC2=NC3=CC=CC=C31)C
InChI: InChI=1S/C18H18N4S/c1-12(2)21-22(3)18(23)20-17-13-8-4-6-10-15(13)19-16-
11-7-5-9-14(16)17/h4-11H,1-3H3,(H,19,20,23)
InChIKey of 4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone (CAS NO.29023-85-6) : OTYZLVRFJPWZQK-UHFFFAOYSA-N
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone Toxicity Data With Reference
| 1. | orl-rat LDLo:20 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3712943 . |
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone Specification
4-(9-Acridinyl)-2-methyl-3-thiosemi carbazone acetone (CAS NO.29023-85-6) is also called Acetone, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazone .
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