(3-Methylbutylideneamino)thiourea
TL;DR: (3-Methylbutylideneamino)thiourea (CAS 23809-28-1) is a chemical compound with molecular formula C6H13N3S and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylbutylideneamino)thiourea
Also Known As: isovaleraldehyde thiosemicarbazone, ISOVALERALDEHYDE, THIOSEMICARBAZONE, Hydrazinecarbothioamide,2-(3-methylbutylidene)-, Hydrazinecarbothioamide, 2-(3-methylbutylidene)-, 3-03-00-00318 (Beilstein Handbook Reference)
| Molecular Formula | C6H13N3S |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 0.8515 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.08302 |
| Heavy Atoms | 10 |
| Complexity | 130.95462 |
Chemical Identifiers
| CAS Number | 23809-28-1 |
|---|---|
| SMILES | CC(C)CC=NNC(=S)N |
Product Overview
(3-Methylbutylideneamino)thiourea (CAS 23809-28-1), with molecular formula C6H13N3S and molecular weight 159.08 g/mol. IUPAC: (3-methylbutylideneamino)thiourea.
Chemical Property Profile of (3-Methylbutylideneamino)thiourea
Property Insights of (3-Methylbutylideneamino)thiourea
The XLogP value of 0.8515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylbutylideneamino)thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, (3-Methylbutylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylbutylideneamino)thiourea 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 (3-Methylbutylideneamino)thiourea?
The CAS number of (3-Methylbutylideneamino)thiourea is 23809-28-1.
What is the molecular formula of (3-Methylbutylideneamino)thiourea?
The molecular formula of (3-Methylbutylideneamino)thiourea is C6H13N3S.
What is the molecular weight of (3-Methylbutylideneamino)thiourea?
The molecular weight of (3-Methylbutylideneamino)thiourea is 159.08 g/mol.
Where can I buy (3-Methylbutylideneamino)thiourea?
You can request a quote for (3-Methylbutylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylbutylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylbutylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.