Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-
TL;DR: Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- (CAS 64949-27-5) is a chemical compound with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-1,3-thiazol-2-ylidene)benzenecarbothioamide
Also Known As: Thiazoline, 3-methyl-2-thiobenzoylimino-, Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-, N-[3-Methylthiazol-2(3H)-ylidene]thiobenzamide, N-(3-methyl-1,3-thiazol-2-ylidene)benzenecarbothioamide, Benzenecarbothioamide,N-(3-methyl-2(3H)-thiazolylidene)
| Molecular Formula | C11H10N2S2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.02853 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64949-27-5 |
|---|---|
| SMILES | CN1C=CSC1=NC(=S)C2=CC=CC=C2 |
| InChIKey | GPTLQXYTHWTLDN-UHFFFAOYSA-N |
Product Overview
Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- (CAS 64949-27-5), with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol. IUPAC: N-(3-methyl-1,3-thiazol-2-ylidene)benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-
Property Insights of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-?
The CAS number of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- is 64949-27-5.
What is the molecular formula of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-?
The molecular formula of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- is C11H10N2S2.
What is the molecular weight of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-?
The molecular weight of Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- is 234.03 g/mol.
Where can I buy Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-?
You can request a quote for Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, N-(3-methyl-2(3H)-thiazolylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.