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133039-83-5 | 2,4-Pyrimidinedithiol
CAS No: 133039-83-5 Catalog No: AG0011JQ MDL No:
Product Description
Catalog Number:
AG0011JQ
Chemical Name:
2,4-Pyrimidinedithiol
CAS Number:
133039-83-5
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
IUPAC Name:
1H-pyrimidine-2,4-dithione
InChI:
InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChI Key:
ZEQIWKHCJWRNTH-UHFFFAOYSA-N
SMILES:
Sc1ccnc(n1)S
EC Number:
217-894-5
NSC Number:
42031
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Photoelectron spectroscopic study of the negative ions of 4-thiouracil and 2,4-dithiouracil. | The Journal of chemical physics 20110221 |
| Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions. | The Journal of chemical physics 20110221 |
| Gas-phase interactions between lead(II) ions and thiouracil nucleobases: a combined experimental and theoretical study. | Journal of the American Society for Mass Spectrometry 20090301 |
| Interaction of Ca2+ with uracil and its thio derivatives in the gas phase. | Organic & biomolecular chemistry 20081021 |
| Novel DNA microarray system for analysis of nascent mRNAs. | DNA research : an international journal for rapid publication of reports on genes and genomes 20080801 |
| Gas-phase deprotonation of uracil-Cu2+ and thiouracil-Cu2+ complexes. | The journal of physical chemistry. A 20060209 |
| Influence of thioketo substitution on the properties of uracil and its noncovalent interactions with alkali metal ions: threshold collision-induced dissociation and theoretical studies. | The journal of physical chemistry. A 20060202 |
| 2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers. | Organic & biomolecular chemistry 20050821 |
| Association of Cu2+ with uracil and its thio derivatives: a theoretical study. | Chemphyschem : a European journal of chemical physics and physical chemistry 20041210 |
| Gas-phase reactivity of uracil, 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil towards the Cu+ cation: a DFT study. | Chemphyschem : a European journal of chemical physics and physical chemistry 20030915 |
| Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. | Biochemical pharmacology 19940817 |
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