![6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate structure](/static/products/1005/1005106-79-5.webp)
6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
TL;DR: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate (CAS 1005106-79-5) is a chemical compound with molecular formula C18H17ClF3NO2S and molecular weight 403.06207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate, (6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-[3-(trifluoromethyl)phenyl]carbamate, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-yl N-[3-(trifluoromethyl)phenyl]carbamate, Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, 6-chloro-3,4,4a,8a-tetrahydro-2-methyl-2H-1-benzothiopyran-4-yl ester, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-ylN-[3-(trifluoromethyl)phenyl]carbamate
Technical Specifications
| Molecular Formula | C18H17ClF3NO2S |
| Molecular Weight | 403.06207 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.06207 Da |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
| SMILES | CC1CC(C2C=C(C=CC2S1)Cl)OC(=O)NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | PCCPROCGFPNVMC-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
Property Insights of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
The XLogP value of 5.3 indicates that 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate. Following Lipinski's Rule of Five, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The CAS number of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is 1005106-79-5.
What is the molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is C18H17ClF3NO2S.
What is the molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is 403.06207 g/mol.
Where can I buy 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
You can request a quote for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
Yes, CoreyChem provides custom synthesis services for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.