5-Amino-3H-1,2,4-dithiazole-3-thione

Basic Information

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CAS Number

6846-35-1

Molecular Formula

C2H2N2S3

Molecular Weight

150.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

solid

Melting Point

>300°C

Boiling Point

2.00 ºC

Density

2.00

Flash Point

124 ºC

Refractive Index

1.5300 (estimate)

SMILES

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C1(=NC(=S)SS1)N

InChI

InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)

InChIKey

YWZHEXZIISFIDA-UHFFFAOYSA-N

LogP

0.9727700000000001

Topological Polar Surface Area

36.74 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

129

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EN300-03326
NSC65248
SMR000060007
EINECS 229-933-3
Isoperthiocyanic acid
5-AMINO-[1,2,4]DITHIAZOLE-3-THIONE
NCIOpen2_000363
5-Imino-1,2, 4-dithiazolidine-3-thione
4-27-00-06755 (Beilstein Handbook Reference)
AI3-61346
SR-01000881447-2
HMS3085D14
1,2,4-DITHIAZOLIDINE-3-THIONE, 5-IMINO-
3-Imino-3H-1,2,4-dithiazole-5-thione
3H-1,4-Dithiazole-3-thione, 5-amino-
FT-0614902
DTXSID90218576
5-amino-1,2,4-dithiazol-3-thione
3-Amino-1,2,4-dithiazole-5-thione
cid_2735329
A836154
3-lmino-1,2,4-dithiazolidin-5-thion
6846-35-1
5-Imino-5H-[1,2,4]dithiazole-3-thione
5-amino-1,2,4-dithiazole-3-thione
CHEMBL1870250
5-Amino-3H-1,2,4-dithiazole-3-thione
3-Imino-3H-1,2,4-dithiazole-5-thiol
WLN: T5MYSSYJ BUS EUM
BCP30315
AKOS000116433

MDL Number

MFCD00051660

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1)?

5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1) is a solid with a crystalline form. Its molecular weight is approximately 128.17 g/mol. This compound is slightly soluble in water and organic solvents. It is known for its reactivity towards nucleophiles and electrophiles, making it useful in various chemical reactions.

How is 5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1) typically synthesized?

5-Amino-3H-1,2,4-dithiazole-3-thione can be synthesized through the reaction of thiourea with carbon disulfide in an alkaline medium. Commonly, this involves the addition of thiourea to a solution of carbon disulfide in an aqueous base like sodium hydroxide. The reaction typically provides good yield and selectivity.

What industries use 5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1)?

5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It also has applications in the production of polymers and sensors. Additionally, it is utilized in semiconductor manufacturing for certain processes.

What precautions should be taken when handling 5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1)?

When handling 5-Amino-3H-1,2,4-dithiazole-3-thione (CAS: 6846-35-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.