3-Aminobenzenecarbothioamide

Basic Information

View in Editor

CAS Number

78950-36-4

Molecular Formula

C7H8N2S

Molecular Weight

152.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

127-131℃

Boiling Point

343.4 °C at 760 mmHg

Density

1.286

Flash Point

343.4 °C at 760 mmHg

Refractive Index

1.719

SMILES

View in Editor

C1=CC(=CC(=C1)N)C(=S)N

InChI

InChI=1S/C7H8N2S/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChIKey

ZKWTUTBIHCNCKU-UHFFFAOYSA-N

LogP

0.903

Topological Polar Surface Area

52.04 Å²

Hydrogen Bond Donor/Acceptor

4 / 2

Complexity

136

Safety Information

View Safety Information

Sensitiveness

Air & Moisture Sensitive

Synonyms & References

English

3-aminobenzothioamide
3-Aminobenzenecarbothioamide #
AS-44306
DTXSID10366200
MFCD04973325
A839538
3-AMINO-THIOBENZAMIDE
CS-0186764
A10495
PD019765
3-amino Benzthioamide
3-Aminobenzenecarbothioamide
SCHEMBL1091579
3-Aminothiobenzamide
AKOS012535884
AB21283
78950-36-4
3-Amino-Thiobenzamide
3-aminobenzenecarbothioamide
3-Amino-thiobenzamid
3-Amino-thiobenzoesaeure-amid
3-amino-thiobenzoic acid amide
3-azanylbenzenecarbothioamide
Benzenecarbothioamide,3-amino
Benzenecarbothioamide, 3-amino- (9CI)

MDL Number

MFCD04973325

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-Aminobenzenecarbothioamide (CAS: 78950-36-4)?

3-Aminobenzenecarbothioamide (CAS: 78950-36-4) is a crystalline solid with a molecular weight of approximately 182.24 g/mol. It has a pKa of around 9.5 and is slightly soluble in water. It is relatively stable under normal conditions but can react with strong acids or bases. This compound is commonly used in pharmaceuticals and sensors.

How is 3-Aminobenzenecarbothioamide (CAS: 78950-36-4) typically synthesized?

3-Aminobenzenecarbothioamide (CAS: 78950-36-4) is often synthesized via the reaction of 3-aminobenzenethiol with carbonyl compounds. Common catalysts include palladium or other transition metals. The reaction involves the formation of an amide bond, typically yielding >90% purity. This method provides good selectivity and yield.

What industries use 3-Aminobenzenecarbothioamide (CAS: 78950-36-4)?

3-Aminobenzenecarbothioamide (CAS: 78950-36-4) is primarily used in the pharmaceutical and sensor industries. It serves as a precursor in the development of various drugs and is also employed in the fabrication of chemical sensors for detecting specific analytes.

What precautions should be taken when handling 3-Aminobenzenecarbothioamide (CAS: 78950-36-4)?

When handling 3-Aminobenzenecarbothioamide (CAS: 78950-36-4), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. If a spill occurs, clean up using proper spill containment materials and follow safety data sheet (SDS) guidelines for disposal. Ensure proper ventilation and avoid contact with skin and eyes.