Semicarbazide, 1-(2-butylidene)-3-thio-
TL;DR: Semicarbazide, 1-(2-butylidene)-3-thio- (CAS 75039-49-5) is a chemical compound with molecular formula C5H11N3S and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-butan-2-ylideneamino]thiourea
Also Known As: Methyl ethyl ketone thiosemicarbazone, 2-Butanone, thiosemicarbazone, Thiosemicarbazone-2-butanone, 2-butanone thiosemicarbazone, 1-(2-Butylidene)-3-thiosemicarbazide
| Molecular Formula | C5H11N3S |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.6055 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.06737 |
| Heavy Atoms | 9 |
| Complexity | 130.1648 |
Chemical Identifiers
| CAS Number | 75039-49-5 |
|---|---|
| SMILES | CC/C(=N/NC(=S)N)/C |
Product Overview
Semicarbazide, 1-(2-butylidene)-3-thio- (CAS 75039-49-5), with molecular formula C5H11N3S and molecular weight 145.07 g/mol. IUPAC: [(E)-butan-2-ylideneamino]thiourea.
Chemical Property Profile of Semicarbazide, 1-(2-butylidene)-3-thio-
Property Insights of Semicarbazide, 1-(2-butylidene)-3-thio-
The XLogP value of 0.6055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semicarbazide, 1-(2-butylidene)-3-thio-. With a topological polar surface area (TPSA) of 50.41 Ų, Semicarbazide, 1-(2-butylidene)-3-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Semicarbazide, 1-(2-butylidene)-3-thio- has 2 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 Semicarbazide, 1-(2-butylidene)-3-thio-?
The CAS number of Semicarbazide, 1-(2-butylidene)-3-thio- is 75039-49-5.
What is the molecular formula of Semicarbazide, 1-(2-butylidene)-3-thio-?
The molecular formula of Semicarbazide, 1-(2-butylidene)-3-thio- is C5H11N3S.
What is the molecular weight of Semicarbazide, 1-(2-butylidene)-3-thio-?
The molecular weight of Semicarbazide, 1-(2-butylidene)-3-thio- is 145.07 g/mol.
Where can I buy Semicarbazide, 1-(2-butylidene)-3-thio-?
You can request a quote for Semicarbazide, 1-(2-butylidene)-3-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semicarbazide, 1-(2-butylidene)-3-thio-?
Yes, KEHONG BIO provides custom synthesis services for Semicarbazide, 1-(2-butylidene)-3-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.