Benzoic acid,3-[(aminothioxomethyl)amino]- supplier

Name
1-(3-CARBOXYPHENYL)-2-THIOUREA
EINECS
CAS No. 37182-75-5
Article Data13
CAS DataBase
Density 1.508 g/cm³
Solubility
Melting Point 187-191 °C(lit.)
Formula C₈H₈N₂O₂S
Boiling Point 399.8 °C at 760 mmHg
Molecular Weight 196.23
Flash Point 195.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Thioureidobenzoicacid;3-[(Aminocarbothioyl)amino]benzoic acid;N-(3-Carboxyphenyl)thiourea;
PSA 107.44000
LogP 1.81360

Benzoic acid,3-[(aminothioxomethyl)amino]- Specification

The Benzoic acid,3-[(aminothioxomethyl)amino]- is an organic compound with the formula C₈H₈N₂O₂S. The systematic name of this chemical is 3-(carbamothioylamino)benzoic acid. With the CAS registry number 37182-75-5, it is also named as 3-[(aminocarbothioyl)amino]benzoic acid. The product's categories are Organic Building Blocks; Sulfur Compounds; Thioureas.

Physical properties about Benzoic acid,3-[(aminothioxomethyl)amino]- are: (1)ACD/LogP: 0.76; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.08; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 64.87 Å²; (10)Index of Refraction: 1.761; (11)Molar Refractivity: 53.61 cm³; (12)Molar Volume: 130 cm³; (13)Polarizability: 21.25×10^-24cm³; (14)Surface Tension: 92.9 dyne/cm; (15)Density: 1.508 g/cm³; (16)Flash Point: 195.6 °C; (17)Enthalpy of Vaporization: 68.61 kJ/mol; (18)Boiling Point: 399.8 °C at 760 mmHg; (19)Vapour Pressure: 4.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cc(ccc1)C(=O)O)N
(2)InChI: InChI=1/C8H8N2O2S/c9-8(13)10-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
(3)InChIKey: JRQJYVACDJEUDZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H8N2O2S/c9-8(13)10-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
(5)Std. InChIKey: JRQJYVACDJEUDZ-UHFFFAOYSA-N

Product Name

1-(3-CARBOXYPHENYL)-2-THIOUREA

Benzoic acid,3-[(aminothioxomethyl)amino]- Specification

Related Products

Hot Products