1-Phenylthiourea

Basic Information

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CAS Number

103-85-5

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

150.0 to 155.0 deg-C

Boiling Point

266.7°C at 760 mmHg

Water Solubility

Soluble in hot water and alcohol.

Flash Point

115.1 °C

Solubility

Soluble in alcohol

Refractive Index

1.5500 (estimate)

SMILES

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NC(=S)Nc1ccccc1

InChI

InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

InChIKey

FULZLIGZKMKICU-UHFFFAOYSA-N

LogP

1.3421

Topological Polar Surface Area

38.05 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

119

Safety Information

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GHS Hazard Pictograms

H300

H317

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong acids, strong oxidizing agents, strong bases.

Sensitiveness

Sensitive to humidity

Toxicity

LD50 in rats, rabbits (mg/kg): 3, 40 orally (Scheline)

Synonyms & References

English

Phenylthiourea
1-Phenyl-2-thiourea
1-phenylthiourea
alpha-phenylthiourea
N-phenylthiourea
Phenylthiocarbamide
PTC
PTU
U 6324
Phenyl-2-thiourea
Phenyl-thiourea
1-phenyl-2-thio-ure
fenylthiomocovina
PTC1
MTC1
PTCH1
HSCR1
MEN2A
MEN2B
RET51
1-phenyl thiourea
u6324
Thiourea, phenyl-
Urea, 1-phenyl-2-thio-
Thiourea, N-phenyl-
RCRA waste number P093
Fenylthiomocovina [Czech]
N-phenylisothiourea
N-Phenyl-Thiourea
.alpha.-Phenylthiourea
RCRA waste no. P093

MDL Number

MFCD00004933

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-Phenylthiourea (CAS: 103-85-5)?

1-Phenylthiourea (CAS: 103-85-5) is a white crystalline solid with a molecular weight of approximately 156.23 g/mol. It is practically insoluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive and undergoes hydrolysis and other substitution reactions under basic conditions.

How is 1-Phenylthiourea (CAS: 103-85-5) typically synthesized?

1-Phenylthiourea is typically synthesized by reacting phenyl isothiocyanate with ammonia. The reaction is carried out in an aqueous medium at room temperature, yielding a product with a high yield and good selectivity. Catalysts such as sodium hydroxide are often used to enhance the reaction rate and product purity.

What industries use 1-Phenylthiourea (CAS: 103-85-5)?

1-Phenylthiourea (CAS: 103-85-5) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the production of dyes and pigments, and as a component in certain polymer formulations. Additionally, it has applications in environmental analysis and as a reagent in analytical chemistry.

What precautions should be taken when handling 1-Phenylthiourea (CAS: 103-85-5)?

When handling 1-Phenylthiourea (CAS: 103-85-5), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately neutralized with an acid-base indicator and cleaned up using appropriate procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.