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Basic Information
CAS No.: 64686-82-4
Name: 4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione
Molecular Structure:
Molecular Structure of 64686-82-4 (4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione)
Formula: C11H11 N3 O S2
Molecular Weight: 265.37
Synonyms: 4-amino-3-benzyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid amide;Thiazoline-2-thione,4-amino-3-benzyl-5-carbamyl;
Density: 1.5g/cm3
Boiling Point: 464.5°Cat760mmHg
Flash Point: 234.7°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 135.36000
LogP: 3.47390
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Chemistry

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

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.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.

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- .