1-(4-Nitroanilino)-3-prop-2-enylthiourea
TL;DR: 1-(4-Nitroanilino)-3-prop-2-enylthiourea (CAS 17073-27-7) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitroanilino)-3-prop-2-enylthiourea
Also Known As: 1-(4-nitroanilino)-3-prop-2-enylthiourea, 1-[(4-NITROPHENYL)AMINO]-3-(PROP-2-EN-1-YL)THIOUREA, 4-allyl-1-(p-nitrophenyl)thiosemicarbazide, N-allyl-2-(4-nitrophenyl)hydrazinecarbothioamide, AB00684129-01
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.5718 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 418.819 |
Chemical Identifiers
| CAS Number | 17073-27-7 |
|---|---|
| SMILES | C=CCNC(=S)NNC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-(4-Nitroanilino)-3-prop-2-enylthiourea (CAS 17073-27-7), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 1-(4-nitroanilino)-3-prop-2-enylthiourea.
Chemical Property Profile of 1-(4-Nitroanilino)-3-prop-2-enylthiourea
Property Insights of 1-(4-Nitroanilino)-3-prop-2-enylthiourea
The XLogP value of 1.5718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitroanilino)-3-prop-2-enylthiourea. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitroanilino)-3-prop-2-enylthiourea. Following Lipinski's Rule of Five, 1-(4-Nitroanilino)-3-prop-2-enylthiourea has 3 hydrogen bond donor(s) and 4 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 1-(4-Nitroanilino)-3-prop-2-enylthiourea?
The CAS number of 1-(4-Nitroanilino)-3-prop-2-enylthiourea is 17073-27-7.
What is the molecular formula of 1-(4-Nitroanilino)-3-prop-2-enylthiourea?
The molecular formula of 1-(4-Nitroanilino)-3-prop-2-enylthiourea is C10H12N4O2S.
What is the molecular weight of 1-(4-Nitroanilino)-3-prop-2-enylthiourea?
The molecular weight of 1-(4-Nitroanilino)-3-prop-2-enylthiourea is 252.07 g/mol.
Where can I buy 1-(4-Nitroanilino)-3-prop-2-enylthiourea?
You can request a quote for 1-(4-Nitroanilino)-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitroanilino)-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitroanilino)-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.