![5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione structure](/static/products/1630/16307-37-2.webp)
5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione
TL;DR: 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione (CAS 16307-37-2) is a chemical compound with molecular formula C12H7ClN2S2 and molecular weight 277.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
Also Known As: 5-(4-chlorophenyl)thieno[2,3-d]pyrimidine-4-thiol, ChemDiv3_004910, m-Nitro-iodosobenzol-diacetat, 5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidine-4-thione, 1-(diacetoxyiodo)-3-nitrobenzene
| Molecular Formula | C12H7ClN2S2 |
|---|---|
| Molecular Weight | 277.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.9739 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 16307-37-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC3=C2C(=S)NC=N3)Cl |
| InChIKey | OBZFUUIPSWALDY-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione (CAS 16307-37-2), with molecular formula C12H7ClN2S2 and molecular weight 277.97 g/mol. IUPAC: 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione
Property Insights of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione
The XLogP value of 3.6 indicates that 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione has 1 hydrogen bond donor(s) and 3 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 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione?
The CAS number of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione is 16307-37-2.
What is the molecular formula of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione?
The molecular formula of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione is C12H7ClN2S2.
What is the molecular weight of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione?
The molecular weight of 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione is 277.97 g/mol.
Where can I buy 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione?
You can request a quote for 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)thieno[2,3-d]pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.