![2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide structure](/static/products/4452/445239-71-4.webp)
2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
TL;DR: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide (CAS 445239-71-4) is a chemical compound with molecular formula C18H16ClN3OS3 and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
Also Known As: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide, 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide, N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea, N-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]-N'-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C18H16ClN3OS3 |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 5.00068 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.0144 |
| Heavy Atoms | 26 |
| Complexity | 917.1356 |
Chemical Identifiers
| CAS Number | 445239-71-4 |
|---|---|
| SMILES | CSC1=CC(=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide (CAS 445239-71-4), with molecular formula C18H16ClN3OS3 and molecular weight 421.01 g/mol. IUPAC: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide.
Chemical Property Profile of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
Property Insights of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
The XLogP value of 5.00068 indicates that 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide?
The CAS number of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide is 445239-71-4.
What is the molecular formula of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide?
The molecular formula of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide is C18H16ClN3OS3.
What is the molecular weight of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide?
The molecular weight of 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide is 421.01 g/mol.
Where can I buy 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide?
You can request a quote for 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.