Thiophenecarbothioanilide deriv.
TL;DR: Thiophenecarbothioanilide deriv. (CAS 178869-98-2) is a chemical compound with molecular formula C19H20ClNO2S2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-chloro-5-[(3-methylthiophene-2-carbothioyl)amino]benzoate
Also Known As: Thiophenecarbothioanilide deriv., Benzoic acid, 2-chloro-5-(((3-methyl-2-thienyl)thioxomethyl)amino)-, cyclohexyl ester, cyclohexyl 2-chloro-5-[(3-methylthiophene-2-carbothioyl)amino]benzoate, cyclohexyl 2-chloro-5-(3-methylthiophene-2-thioamido)benzoate, Benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl)thioxomethyl]amino]-, cyclohexyl ester
| Molecular Formula | C19H20ClNO2S2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 5.98702 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0624 |
| Heavy Atoms | 25 |
| Complexity | 781.4813 |
Chemical Identifiers
| CAS Number | 178869-98-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3 |
Product Overview
Thiophenecarbothioanilide deriv. (CAS 178869-98-2), with molecular formula C19H20ClNO2S2 and molecular weight 393.06 g/mol. IUPAC: cyclohexyl 2-chloro-5-[(3-methylthiophene-2-carbothioyl)amino]benzoate.
Chemical Property Profile of Thiophenecarbothioanilide deriv.
Property Insights of Thiophenecarbothioanilide deriv.
The XLogP value of 5.98702 indicates that Thiophenecarbothioanilide deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Thiophenecarbothioanilide deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophenecarbothioanilide deriv. has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiophenecarbothioanilide deriv.?
The CAS number of Thiophenecarbothioanilide deriv. is 178869-98-2.
What is the molecular formula of Thiophenecarbothioanilide deriv.?
The molecular formula of Thiophenecarbothioanilide deriv. is C19H20ClNO2S2.
What is the molecular weight of Thiophenecarbothioanilide deriv.?
The molecular weight of Thiophenecarbothioanilide deriv. is 393.06 g/mol.
Where can I buy Thiophenecarbothioanilide deriv.?
You can request a quote for Thiophenecarbothioanilide deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophenecarbothioanilide deriv.?
Yes, KEHONG BIO provides custom synthesis services for Thiophenecarbothioanilide deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.