4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide (CAS 175205-52-4) is a chemical compound with molecular formula C9H7N3S2 and molecular weight 221.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(thiadiazol-4-yl)benzenecarbothioamide
Also Known As: 4-(1,2,3-thiadiazol-4-yl)benzene-1-carbothioamide, Maybridge1_007466, 4-(thiadiazol-4-yl)benzenecarbothioamide, 4-(1,2,3-Thiadiazol-4-yl)benzothioamide, 4-(1,2,3-thiadiazol-4-yl)benzenecarbothioamide
| Molecular Formula | C9H7N3S2 |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | 1.8393 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.00813 |
| Heavy Atoms | 14 |
| Complexity | 433.59045 |
Chemical Identifiers
| CAS Number | 175205-52-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSN=N2)C(=S)N |
Product Overview
4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide (CAS 175205-52-4), with molecular formula C9H7N3S2 and molecular weight 221.01 g/mol. IUPAC: 4-(thiadiazol-4-yl)benzenecarbothioamide.
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide
The XLogP value of 1.8393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide. With a topological polar surface area (TPSA) of 51.8 Ų, 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide is 175205-52-4.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide is C9H7N3S2.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide is 221.01 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.