C13H13ClN2O2S
TL;DR: C13H13ClN2O2S (CAS 134141-09-6) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.03864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 03148557, methyl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(2-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(2-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, METHYL 4-(2-CHLOROPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Technical Specifications
| Molecular Formula | C13H13ClN2O2S |
| Molecular Weight | 296.03864 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.03864 Da |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OC |
| InChIKey | IGCFTBUKAOHMJB-UHFFFAOYSA-N |
Chemical Property Profile of C13H13ClN2O2S
Property Insights of C13H13ClN2O2S
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H13ClN2O2S. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H13ClN2O2S. Following Lipinski's Rule of Five, C13H13ClN2O2S has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C13H13ClN2O2S?
The CAS number of C13H13ClN2O2S is 134141-09-6.
What is the molecular formula of C13H13ClN2O2S?
The molecular formula of C13H13ClN2O2S is C13H13ClN2O2S.
What is the molecular weight of C13H13ClN2O2S?
The molecular weight of C13H13ClN2O2S is 296.03864 g/mol.
Where can I buy C13H13ClN2O2S?
You can request a quote for C13H13ClN2O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H13ClN2O2S?
Yes, CoreyChem provides custom synthesis services for C13H13ClN2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.