![1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea structure](/static/products/401/40106-28-3.png)
1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea
TL;DR: 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea (CAS 40106-28-3) is a chemical compound with molecular formula C21H22N4S3 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea
Also Known As: 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea, 1,3-bis(10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)thiourea, 2-({[(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))amino]thioxo methyl}amino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carbonitrile
| Molecular Formula | C21H22N4S3 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 5.89966 |
| Topological Polar Surface Area | 71.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.10065 |
| Heavy Atoms | 28 |
| Complexity | 908.6788 |
Chemical Identifiers
| CAS Number | 40106-28-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC3=C(C4=C(S3)CCCCC4)C#N |
Product Overview
1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea (CAS 40106-28-3), with molecular formula C21H22N4S3 and molecular weight 426.10 g/mol. IUPAC: 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea.
Chemical Property Profile of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea
Property Insights of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea
The XLogP value of 5.89966 indicates that 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea. Following Lipinski's Rule of Five, 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea 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 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea?
The CAS number of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea is 40106-28-3.
What is the molecular formula of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea?
The molecular formula of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea is C21H22N4S3.
What is the molecular weight of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea?
The molecular weight of 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea is 426.10 g/mol.
Where can I buy 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea?
You can request a quote for 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.