(Heptan-2-ylideneamino)thiourea
TL;DR: (Heptan-2-ylideneamino)thiourea (CAS 2030-66-2) is a chemical compound with molecular formula C8H17N3S and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(heptan-2-ylideneamino)thiourea
Also Known As: 2-heptanone thiosemicarbazone, (heptan-2-ylideneamino)thiourea
| Molecular Formula | C8H17N3S |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 1.7758 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.11432 |
| Heavy Atoms | 12 |
| Complexity | 165.68591 |
Chemical Identifiers
| CAS Number | 2030-66-2 |
|---|---|
| SMILES | CCCCCC(=NNC(=S)N)C |
Product Overview
(Heptan-2-ylideneamino)thiourea (CAS 2030-66-2), with molecular formula C8H17N3S and molecular weight 187.11 g/mol. IUPAC: (heptan-2-ylideneamino)thiourea.
Chemical Property Profile of (Heptan-2-ylideneamino)thiourea
Property Insights of (Heptan-2-ylideneamino)thiourea
The XLogP value of 1.7758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Heptan-2-ylideneamino)thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, (Heptan-2-ylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Heptan-2-ylideneamino)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 (Heptan-2-ylideneamino)thiourea?
The CAS number of (Heptan-2-ylideneamino)thiourea is 2030-66-2.
What is the molecular formula of (Heptan-2-ylideneamino)thiourea?
The molecular formula of (Heptan-2-ylideneamino)thiourea is C8H17N3S.
What is the molecular weight of (Heptan-2-ylideneamino)thiourea?
The molecular weight of (Heptan-2-ylideneamino)thiourea is 187.11 g/mol.
Where can I buy (Heptan-2-ylideneamino)thiourea?
You can request a quote for (Heptan-2-ylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Heptan-2-ylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (Heptan-2-ylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.