4-Amino-2(1H)-pyrimidinethione

Basic Information

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CAS Number

333-49-3

Molecular Formula

C4H5N3S

Molecular Weight

127.17 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

Melting Point

285-290 °C (dec.)

Refractive Index

1.5800 (estimate)

SMILES

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C1=C(NC(=S)N=C1)N

InChI

InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChIKey

DCPSTSVLRXOYGS-UHFFFAOYSA-N

LogP

0.34750000000000014

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

170

Synonyms & References

English

CS-0078723
2-Pyrimidinethiol,1,4-dihydro-4-imino-(9ci)
GEO-00152
6-amino-1H-pyrimidine-2-thione
NSC45755
4-Aminopyrimidine-2-thiol
Thiocytosine
AI3-52256
NSC-45755
2(1H)-Pyrimidinethione, 6-amino-
NSC211571
MS-20308
4-aminopyrimidine-2(1H)-thione
NS00029464
2(1H)-Pyrimidinone, 4-aminothio-
140907-24-0
A821739
6-Amino-2(1H)-pyrimidinethione
POTASSIUM2-METHYL-2-BUTOXIDE
4-amino-1H-pyrimidine-2-thione
107759-90-0
EINECS 206-374-3
Q20892009
4-Amino-2(1H)-pyrimidinethione #
AKOS006223224
139424-18-3
SCHEMBL20718
NSC-211571
MFCD00006075
D73961
2(1H)-Pyrimidinethione,3,4-dihydro-4-imino-,(Z)-(9ci)

MDL Number

MFCD00057341

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-Amino-2(1H)-pyrimidinethione (CAS: 333-49-3)?

4-Amino-2(1H)-pyrimidinethione (CAS: 333-49-3) is a crystalline solid with a molecular weight of approximately 111.11 g/mol. It has a solubility of about 20 g/L in water. This compound is moderately reactive and can undergo substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases.

How is 4-Amino-2(1H)-pyrimidinethione (CAS: 333-49-3) typically synthesized?

4-Amino-2(1H)-pyrimidinethione is typically synthesized via the amidation reaction of 2-aminothiazole with acetic anhydride. The reaction is catalyzed by a Lewis acid like aluminum chloride. The yield is usually around 80%, and the product is purified by recrystallization from water.

What industries use 4-Amino-2(1H)-pyrimidinethione (CAS: 333-49-3)?

4-Amino-2(1H)-pyrimidinethione (CAS: 333-49-3) is primarily used in the pharmaceutical and agricultural industries. It acts as a precursor for the synthesis of various bioactive compounds and herbicides. Additionally, it is used in the polymer industry for the modification of polymer properties.