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2-Thiocytosine - 97%, high purity , CAS No.333-49-3

    Grade & Purity:
  • ≥97%
In stock
Item Number
T169649
Grouped product items
SKU Size
Availability
Price Qty
T169649-1g
1g
2
$53.90
T169649-5g
5g
1
$241.90

Basic Description

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.

Taxonomic Classification

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

Names and Identifiers

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

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
J2022045 Certificate of Analysis Aug 04, 2023 T169649
D2307022 Certificate of Analysis Mar 24, 2023 T169649
D2307019 Certificate of Analysis Mar 24, 2023 T169649
D2307015 Certificate of Analysis Mar 24, 2023 T169649

Chemical and Physical Properties

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

Solution Calculators

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