4-(3,4-Xylyl)-3-thiosemicarbazide
TL;DR: 4-(3,4-Xylyl)-3-thiosemicarbazide (CAS 6630-99-5) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(3,4-dimethylphenyl)thiourea
Also Known As: n-(3,4-dimethylphenyl)hydrazinecarbothioamide, 3-amino-1-(3,4-dimethylphenyl)thiourea, 1-amino-3-butylthiourea, 1-amino-3-(3,4-dimethylphenyl)thiourea, N- HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 6630-99-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NN)C |
| InChIKey | SQBHNOLKPPEJFA-UHFFFAOYSA-N |
Product Overview
4-(3,4-Xylyl)-3-thiosemicarbazide (CAS 6630-99-5), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: 1-amino-3-(3,4-dimethylphenyl)thiourea.
Chemical Property Profile of 4-(3,4-Xylyl)-3-thiosemicarbazide
Property Insights of 4-(3,4-Xylyl)-3-thiosemicarbazide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Xylyl)-3-thiosemicarbazide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Xylyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3,4-Xylyl)-3-thiosemicarbazide has 3 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 4-(3,4-Xylyl)-3-thiosemicarbazide?
The CAS number of 4-(3,4-Xylyl)-3-thiosemicarbazide is 6630-99-5.
What is the molecular formula of 4-(3,4-Xylyl)-3-thiosemicarbazide?
The molecular formula of 4-(3,4-Xylyl)-3-thiosemicarbazide is C9H13N3S.
What is the molecular weight of 4-(3,4-Xylyl)-3-thiosemicarbazide?
The molecular weight of 4-(3,4-Xylyl)-3-thiosemicarbazide is 195.08 g/mol.
Where can I buy 4-(3,4-Xylyl)-3-thiosemicarbazide?
You can request a quote for 4-(3,4-Xylyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Xylyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Xylyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.