![(3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide structure](/static/products/121/1212336-39-4.webp)
(3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
TL;DR: (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide (CAS 1212336-39-4) is a chemical compound with molecular formula C13H19N3S and molecular weight 249.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-N-ethyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide
Also Known As: (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Technical Specifications
| Molecular Formula | C13H19N3S |
| Molecular Weight | 249.12997 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.12997 Da |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
| SMILES | CCNC(=S)N1C2=C([C@H]3[C@@H](C2)C3(C)C)C(=N1)C |
| InChIKey | FWWZFUCBOADTRX-LDYMZIIASA-N |
Chemical Property Profile of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Property Insights of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The CAS number of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is 1212336-39-4.
What is the molecular formula of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The molecular formula of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is C13H19N3S.
What is the molecular weight of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The molecular weight of (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is 249.12997 g/mol.
Where can I buy (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
You can request a quote for (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.