N-(2,3-Xylyl)cyanothioformamide
TL;DR: N-(2,3-Xylyl)cyanothioformamide (CAS 112507-24-1) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(2,3-dimethylphenyl)methanethioamide
Also Known As: N-(2,3-XYLYL)CYANOTHIOFORMAMIDE, 1-cyano-N-(2,3-dimethylphenyl)methanethioamide, 668-657-1, RefChem:823888
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.56632 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 377.0014 |
Chemical Identifiers
| CAS Number | 112507-24-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)C#N)C |
Product Overview
N-(2,3-Xylyl)cyanothioformamide (CAS 112507-24-1), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 1-cyano-N-(2,3-dimethylphenyl)methanethioamide.
Chemical Property Profile of N-(2,3-Xylyl)cyanothioformamide
Property Insights of N-(2,3-Xylyl)cyanothioformamide
The XLogP value of 2.56632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-Xylyl)cyanothioformamide. With a topological polar surface area (TPSA) of 35.82 Ų, N-(2,3-Xylyl)cyanothioformamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-Xylyl)cyanothioformamide has 1 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 N-(2,3-Xylyl)cyanothioformamide?
The CAS number of N-(2,3-Xylyl)cyanothioformamide is 112507-24-1.
What is the molecular formula of N-(2,3-Xylyl)cyanothioformamide?
The molecular formula of N-(2,3-Xylyl)cyanothioformamide is C10H10N2S.
What is the molecular weight of N-(2,3-Xylyl)cyanothioformamide?
The molecular weight of N-(2,3-Xylyl)cyanothioformamide is 190.06 g/mol.
Where can I buy N-(2,3-Xylyl)cyanothioformamide?
You can request a quote for N-(2,3-Xylyl)cyanothioformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-Xylyl)cyanothioformamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-Xylyl)cyanothioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.