Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]- supplier

Name
1-BENZOYL-2-THIOBIURET
EINECS
CAS No. 41835-24-9
Density 1.387 g/cm³
Solubility
Melting Point 173-175°C
Formula C₉H₉N₃O₂S
Boiling Point
Molecular Weight 223.255
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzoylthiobiuret;
PSA 116.31000
LogP 1.85170

Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]- Specification

The Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]-, with the CAS registry number 41835-24-9, is also known as 1-Benzoyl-2-thiobiuret. This chemical's molecular formula is C₉H₉N₃O₂S and molecular weight is 223.2517. Its systematic name is called N-(carbamoylcarbamothioyl)benzamide.

Physical properties of Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]-: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.11; (7)ACD/KOC (pH 7.4): 20.48; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 58.95 cm³; (13)Molar Volume: 160.8 cm³; (14)Surface Tension: 72 dyne/cm; (15)Density: 1.387 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(=S)NC(=O)N)c1ccccc1
(2)InChI: InChI=1/C9H9N3O2S/c10-8(14)12-9(15)11-7(13)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)
(3)InChIKey: XZWNNLCHQSTQJP-UHFFFAOYAM

Product Name

1-BENZOYL-2-THIOBIURET

Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]- Specification

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