Thymine | SBID = 599 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 58.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 93.2 | ||
| Sum Formula: | C5H6N2O2 | ||
| M / g/mol: | 126.11 | ||
| Complexity: | 195.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: nucleobase
- Name: Thymine
- Preferred Abbreviation: Thymine
- IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione
- CAS: 65-71-4
- CID: 1135
- InChiKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N
- InChi: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
- CanoSmiles: CC1=CNC(=O)NC1=O
- IsoSmiles: CC1=CNC(=O)NC1=O
