![2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide structure](/static/products/3156/315682-85-0.webp)
2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
TL;DR: 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide (CAS 315682-85-0) is a chemical compound with molecular formula C17H15FN2S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: TH01, UPCMLD0ENAT0513-7244:001, 2-fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide, AF-399/15128464, 4-((2-fluorobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C17H15FN2S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.06607 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 315682-85-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=CC=C4F |
| InChIKey | WHCWGLIMIAJMOY-UHFFFAOYSA-N |
Product Overview
2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide (CAS 315682-85-0), with molecular formula C17H15FN2S2 and molecular weight 330.07 g/mol. IUPAC: 4-[(2-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
Property Insights of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
The XLogP value of 5.2 indicates that 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide. Following Lipinski's Rule of Five, 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide?
The CAS number of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide is 315682-85-0.
What is the molecular formula of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide?
The molecular formula of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide is C17H15FN2S2.
What is the molecular weight of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide?
The molecular weight of 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide is 330.07 g/mol.
Where can I buy 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide?
You can request a quote for 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.