Benzenesulfonamide, 4-[(aminothioxomethyl)amino]- supplier

Name
4-THIOUREIDO-BENZENESULFONAMIDE
EINECS
CAS No. 1718-39-4
Article Data10
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point 209 °C
Formula C₇H₉N₃O₂S₂
Boiling Point 448 °C at 760 mmHg
Molecular Weight 231.299
Flash Point 224.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[(Aminocarbonothioyl)amino]benzenesulfonamide;
PSA 138.68000
LogP 2.54390

Benzenesulfonamide, 4-[(aminothioxomethyl)amino]- Specification

The CAS registry number of Benzenesulfonamide, 4-[(aminothioxomethyl)amino]- is 1718-39-4. This chemical is also named as 4-[(Aminocarbonothioyl)amino]benzenesulfonamide. In addition, its molecular formula is C₇H₉N₃O₂S₂ and molecular weight is 231.3. Its systematic name is called 4-(carbamothioylamino)benzenesulfonamide.

Physical properties about Benzenesulfonamide, 4-[(aminothioxomethyl)amino]- are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.38; (6)ACD/KOC (pH 7.4): 13.36; (7)#H bond acceptors: 5; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.725; (11)Molar Refractivity: 58.2 cm³; (12)Molar Volume: 146.5 cm³; (13)Surface Tension: 93.8 dyne/cm; (14)Density: 1.578 g/cm³; (15)Flash Point: 224.8 °C; (16)Enthalpy of Vaporization: 70.65 kJ/mol; (17)Boiling Point: 448 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccc(cc1)S(=O)(=O)N)N
(2)InChI: InChI=1/C7H9N3O2S2/c8-7(13)10-5-1-3-6(4-2-5)14(9,11)12/h1-4H,(H3,8,10,13)(H2,9,11,12)
(3)InChIKey: OGAAVFJBPHTLNL-UHFFFAOYAV

Product Name

4-THIOUREIDO-BENZENESULFONAMIDE

Benzenesulfonamide, 4-[(aminothioxomethyl)amino]- Specification

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