4-Sec-butyl-thiosemicarbazide
TL;DR: 4-Sec-butyl-thiosemicarbazide (CAS 4312-11-2) is a chemical compound with molecular formula C5H13N3S and molecular weight 147.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-butan-2-ylthiourea
Also Known As: 4-sec-butyl-thiosemicarbazide, 1-amino-3-butan-2-ylthiourea, 3-amino-1-(butan-2-yl)thiourea, 4-(2-butyl)-3-thiosemicarbazide, 4-(1-Methylpropyl)thiosemicarbazide
| Molecular Formula | C5H13N3S |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 0.1227 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.08302 |
| Heavy Atoms | 9 |
| Complexity | 94.203896 |
Chemical Identifiers
| CAS Number | 4312-11-2 |
|---|---|
| SMILES | CCC(C)NC(=S)NN |
Product Overview
4-Sec-butyl-thiosemicarbazide (CAS 4312-11-2), with molecular formula C5H13N3S and molecular weight 147.08 g/mol. IUPAC: 1-amino-3-butan-2-ylthiourea.
Chemical Property Profile of 4-Sec-butyl-thiosemicarbazide
Property Insights of 4-Sec-butyl-thiosemicarbazide
The XLogP value of 0.1227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Sec-butyl-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-Sec-butyl-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Sec-butyl-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-Sec-butyl-thiosemicarbazide?
The CAS number of 4-Sec-butyl-thiosemicarbazide is 4312-11-2.
What is the molecular formula of 4-Sec-butyl-thiosemicarbazide?
The molecular formula of 4-Sec-butyl-thiosemicarbazide is C5H13N3S.
What is the molecular weight of 4-Sec-butyl-thiosemicarbazide?
The molecular weight of 4-Sec-butyl-thiosemicarbazide is 147.08 g/mol.
Where can I buy 4-Sec-butyl-thiosemicarbazide?
You can request a quote for 4-Sec-butyl-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sec-butyl-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Sec-butyl-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.