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Cas Database |
| Name |
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione |
EINECS | N/A |
| CAS No. | 64686-82-4 | Density | 1.5g/cm3 |
| PSA | 135.36000 | LogP | 3.47390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H11 N3 O S2 | Boiling Point | 464.5°Cat760mmHg |
| Molecular Weight | 265.37 | Flash Point | 234.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-amino-3-benzyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid amide;Thiazoline-2-thione,4-amino-3-benzyl-5-carbamyl; |
Article Data | 2 |
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione Chemical Properties
Product Name: 4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione (CAS NO.64686-82-4)
Molecular Formula: C11H11N3OS2
Molecular Weight: 265.37g/mol
Mol File: 64686-82-4.mol
Boiling point: 464.5 °C at 760 mmHg
Flash Point: 234.7 °C
Density: 1.5 g/cm3
Surface Tension: 89.8 dyne/cm
Enthalpy of Vaporization: 72.59 kJ/mol
Vapour Pressure: 8.32E-09 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of 4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione (CAS NO.64686-82-4):
IUPAC Name: 4-Amino-3-benzyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Canonical SMILES: C1=CC=C(C=C1)CN2C(=C(SC2=S)C(=O)N)N
InChI: InChI=1S/C11H11N3OS2/c12-9-8(10(13)15)17-11(16)14(9)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,13,15)
InChIKey: KYVMDQPAZYWJQB-UHFFFAOYSA-N
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1652, 1977. | |
| mouse | LDLo | oral | 250mg/kg (250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1652, 1977. |
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione Specification
4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione , its CAS NO. is 64686-82-4, the synonyms are 5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(phenylmethyl)-2-thioxo- ; BRN 1126042 ; Thiazoline-2-thione, 4-amino-3-benzyl-5-carbamyl- .
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