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333-49-3

333-49-3 Structure

333-49-3 Structure
IdentificationMore
[Name]

4-AMINO-2-MERCAPTOPYRIMIDINE
[CAS]

333-49-3
[Synonyms]

2-THIOCYTOSINE
4-AMINO-2-MERCAPTOPYRIMIDINE
4-AMINO-2-THIOPYRIMIDINE
THIOCYTOSINE
2(1H)-Pyrimidinethione, 4-amino-
2(1H)-Pyrimidinone, 4-aminothio-
4-amino-2(1h)-pyrimidinethion
4-Amino-2(1H)-pyrimidinethione
Cytosine, 2-thio-
Cytosine, thio-
2-mercapto-4-Aminopyrimidine
4-aminopyrimidine-2-thiol
2(1H)-Pyrimidinethione, 4-amino-(6CI,7CI,8CI,9CI)
2-THIOCYTOSINE CRYSTALLINE APPROX. 99%
4-AMINO-2-MERCAPTOPYRIMIDINE 97%
4-Amino-2-mercaptopyrimidine, 4-Amino-2-thiopyrimidine
4-Aminopyrimidine-2(1H)-thione
4-Aminopyrimidine-2(3H)-thione
[EINECS(EC#)]

206-374-3
[Molecular Formula]

C4H5N3S
[MDL Number]

MFCD00057341
[Molecular Weight]

127.17
[MOL File]

333-49-3.mol
Chemical PropertiesBack Directory
[Appearance]

Beige toYellow Powder
[Melting point ]

285-290 °C (dec.)(lit.)
[Boiling point ]

232.1±43.0 °C(Predicted)
[density ]

1.313 (estimate)
[refractive index ]

1.5800 (estimate)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Water (Slightly)
[form ]

Powder
[pka]

7.91±0.10(Predicted)
[color ]

Yellow
[BRN ]

112435
[InChI]

1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
[InChIKey]

DCPSTSVLRXOYGS-UHFFFAOYSA-N
[SMILES]

NC1=NC(=S)NC=C1
[CAS DataBase Reference]

333-49-3(CAS DataBase Reference)
[EPA Substance Registry System]

2(1H)-Pyrimidinethione, 4-amino- (333-49-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319
[Precautionary statements ]

P280-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

UW0520000
[TSCA ]

TSCA listed
[HS Code ]

29335995
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Beige toYellow Powder
[Uses]

2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate.
[Uses]

This compound has been shown to inhibit iodothyronine 5’-deiodinase, the enzyme responsible for the 5’-deiodination of thyroxine in human liver cells.
[General Description]

2-Thiocytosine is a potential antileukemic and anticancer agent. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT).
[Purification Methods]

It is recrystallised from hot H2O and dried at 100o to constant weight. [Brown J Appl Chem (London) 9 203 1959, Russell et al. J Am Chem Soc 71 2279 1949.] It is used in transcription and translation studies [Rachwitz & Scheit Eur J Biochem 72 191 1977].
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)MS
4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)1HNMR
4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)13CNMR
4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)IR1
4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)IR2
4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Amino-2-mercaptopyrimidine, 97%(333-49-3)
[Sigma Aldrich]

333-49-3(sigmaaldrich)
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