Benzamide,N-(aminothioxomethyl)- (614-23-3)

The Benzoylthiourea, with CAS registry number 614-23-3, belongs to the following product categorie: Heterocycles. Its systematic name and its IUPAC name are the same, which is N-carbamothioylbenzamide. Besides this, it is also called Benzamide, N-(aminothioxomethyl)-. And this chemical should be stored in cool, dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 59.26; (8)ACD/KOC (pH 7.4): 59.16; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 50.7 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Enthalpy of Vaporization: 56.11 kJ/mol; (19)Vapour Pressure: 0.000336 mmHg at 25°C.

Preparation: this chemical can be prepared by benzoyl isothiocyanate. This reaction will need reagent ammonia.

When you are using this chemical, please be cautious about it as the following:
The Benzoylthiourea is harmful if swallowed, so please do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(=S)N)c1ccccc1
(2)InChI: InChI=1/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
(3)InChIKey: DQMWMUMCNOJLSI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
(5)Std. InChIKey: DQMWMUMCNOJLSI-UHFFFAOYSA-N

The toxicity data is as follows: