((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione
TL;DR: ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione (CAS 1026026-77-6) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-3-prop-2-ynylthiourea
Also Known As: starbld0048008, 1-(4-nitrophenyl)-3-(prop-2-yn-1-yl)thiourea, 1-(4-nitrophenyl)-3-prop-2-ynylthiourea, ((4-NITROPHENYL)AMINO)(PROP-2-YNYLAMINO)METHANE-1-THIONE, 1-(4-nitrophenyl)-3-prop-2-ynyl-thiourea
Technical Specifications
| Molecular Formula | C10H9N3O2S |
| Molecular Weight | 235.04155 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.04155 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | C#CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RQMOUGAVNFBSIC-UHFFFAOYSA-N |
Chemical Property Profile of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione
Property Insights of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione. Following Lipinski's Rule of Five, ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione?
The CAS number of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione is 1026026-77-6.
What is the molecular formula of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione?
The molecular formula of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione is C10H9N3O2S.
What is the molecular weight of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione?
The molecular weight of ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione is 235.04155 g/mol.
Where can I buy ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione?
You can request a quote for ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione?
Yes, CoreyChem provides custom synthesis services for ((4-Nitrophenyl)amino)(prop-2-ynylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.