![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 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C18H17ClF3NO2S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 5.8252 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.06207 |
| Heavy Atoms | 26 |
| Complexity | 750.1969 |
Chemical Identifiers
| CAS Number | 1005106-79-5 |
|---|---|
| SMILES | CC1CC(C2C=C(C=CC2S1)Cl)OC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate (CAS 1005106-79-5), with molecular formula C18H17ClF3NO2S and molecular weight 403.06 g/mol. IUPAC: (6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-[3-(trifluoromethyl)phenyl]carbamate.
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 5.8252 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. With a topological polar surface area (TPSA) of 38.33 Ų, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 403.06 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
Yes, KEHONG BIO 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.