N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
TL;DR: N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea (CAS 861210-67-5) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1,3-benzoxazol-6-yl)-3-prop-2-enylthiourea
Also Known As: N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(prop-2-en-1-yl)thiourea, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-prop-2-enylthiourea, 1-allyl-3-(2-methyl-1,3-benzoxazol-6-yl)thiourea
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.60862 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 561.8761 |
Chemical Identifiers
| CAS Number | 861210-67-5 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=C(C=C2)NC(=S)NCC=C |
Product Overview
N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea (CAS 861210-67-5), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
Property Insights of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
The XLogP value of 2.60862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea. With a topological polar surface area (TPSA) of 50.09 Ų, N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea 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
Frequently Asked Questions
What is the CAS number of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The CAS number of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is 861210-67-5.
What is the molecular formula of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The molecular formula of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is C12H13N3OS.
What is the molecular weight of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
The molecular weight of N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea is 247.08 g/mol.
Where can I buy N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
You can request a quote for N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.