Thymidine, 3'-deoxy-3'-isothiocyanato-
TL;DR: Thymidine, 3'-deoxy-3'-isothiocyanato- (CAS 130945-07-2) is a chemical compound with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isothiocyanatooxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-isothiocyano dT, 3'-Deoxy-3'-isothiocyanothymidine, Thymidine, 3'-deoxy-3'-isothiocyanato-, 3'-Deoxy-3'-isothiocyanatothymidine, 3 -Deoxy-3 -isothiocyanatothymidine
| Molecular Formula | C11H13N3O4S |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.06268 |
| Heavy Atoms | 19 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 130945-07-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=C=S |
| InChIKey | JFVVYUNTFDTCEH-DJLDLDEBSA-N |
Product Overview
Thymidine, 3'-deoxy-3'-isothiocyanato- (CAS 130945-07-2), with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol. IUPAC: 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isothiocyanatooxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine, 3'-deoxy-3'-isothiocyanato-
Property Insights of Thymidine, 3'-deoxy-3'-isothiocyanato-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-deoxy-3'-isothiocyanato-. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-isothiocyanato-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-isothiocyanato- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine, 3'-deoxy-3'-isothiocyanato-?
The CAS number of Thymidine, 3'-deoxy-3'-isothiocyanato- is 130945-07-2.
What is the molecular formula of Thymidine, 3'-deoxy-3'-isothiocyanato-?
The molecular formula of Thymidine, 3'-deoxy-3'-isothiocyanato- is C11H13N3O4S.
What is the molecular weight of Thymidine, 3'-deoxy-3'-isothiocyanato-?
The molecular weight of Thymidine, 3'-deoxy-3'-isothiocyanato- is 283.06 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-isothiocyanato-?
You can request a quote for Thymidine, 3'-deoxy-3'-isothiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-deoxy-3'-isothiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-deoxy-3'-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.