(1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate
TL;DR: (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate (CAS 101491-48-9) is a chemical compound with molecular formula C7H17N2OS+ and molecular weight 177.10616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate
Also Known As: (1-ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate, (1-Azaniumylpropan-2-yl)(propan-2-yl)ammoniumcarbothioate, [1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate, CARBAMIC ACID, ((2-AMINO-1-METHYL)ETHYL)ISOPROPYLTHIO-, inner salt
Technical Specifications
| Molecular Formula | C7H17N2OS+ |
| Molecular Weight | 177.10616 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.10616 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | CC(C)[NH+](C(C)C[NH3+])C(=O)[S-] |
| InChIKey | PHDOQTWAQRIFTI-UHFFFAOYSA-O |
Chemical Property Profile of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate
Property Insights of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate. With a topological polar surface area (TPSA) of 50.2 Ų, (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate 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
What is the CAS number of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate?
The CAS number of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate is 101491-48-9.
What is the molecular formula of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate?
The molecular formula of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate is C7H17N2OS+.
What is the molecular weight of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate?
The molecular weight of (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate is 177.10616 g/mol.
Where can I buy (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate?
You can request a quote for (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate?
Yes, CoreyChem provides custom synthesis services for (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.