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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
T169649-1g
|
1g |
2
|
$53.90
|
|
|
T169649-5g
|
5g |
1
|
$241.90
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|
| Synonyms | CS-0078723 | Thiocytosine | 4-Amino-2(1H)-pyrimidinethione | 4-Amino-2-mercaptopyrimidine | BBL100192 | GEO-00152 | 2-Pyrimidinethiol, 1,4-dihydro-4-imino- (9CI) | 4-Amino-2(1H)-pyrimidinethione # | 4-Aminopyrimidine-2-thiol | SCHEMBL20718 | 6-Amino-2(1H) |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product 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). 2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidinethiones |
| Alternative Parents | Aminopyrimidines and derivatives 2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Primary amines Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Aminopyrimidine - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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| Pubchem Sid | 504760867 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760867 |
| IUPAC Name | 6-amino-1H-pyrimidine-2-thione |
| INCHI | InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) |
| InChIKey | DCPSTSVLRXOYGS-UHFFFAOYSA-N |
| Smiles | C1=C(NC(=S)N=C1)N |
| Isomeric SMILES | C1=C(NC(=S)N=C1)N |
| WGK Germany | 3 |
| RTECS | UW0520000 |
| PubChem CID | 2724245 |
| Molecular Weight | 127.17 |
| Beilstein | 112435 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 04, 2023 | T169649 | |
| Certificate of Analysis | Mar 24, 2023 | T169649 | |
| Certificate of Analysis | Mar 24, 2023 | T169649 | |
| Certificate of Analysis | Mar 24, 2023 | T169649 |
| Solubility | DMSO (Slightly), Water (Slightly) |
|---|---|
| Melt Point(°C) | 285-290°C |
| Molecular Weight | 127.170 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 127.02 Da |
| Monoisotopic Mass | 127.02 Da |
| Topological Polar Surface Area | 82.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |