1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea
TL;DR: 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea (CAS 454178-89-3) is a chemical compound with molecular formula C11H14N4S2 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-ylamino)-3-propan-2-ylthiourea
Also Known As: 1-(1,3-benzothiazol-2-ylamino)-3-propan-2-ylthiourea, 2-(1,3-Benzothiazol-2-yl)-N-(propan-2-yl)hydrazine-1-carbothioamide
| Molecular Formula | C11H14N4S2 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.4957 |
| Topological Polar Surface Area | 48.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.06598 |
| Heavy Atoms | 17 |
| Complexity | 487.92072 |
Chemical Identifiers
| CAS Number | 454178-89-3 |
|---|---|
| SMILES | CC(C)NC(=S)NNC1=NC2=CC=CC=C2S1 |
Product Overview
1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea (CAS 454178-89-3), with molecular formula C11H14N4S2 and molecular weight 266.07 g/mol. IUPAC: 1-(1,3-benzothiazol-2-ylamino)-3-propan-2-ylthiourea.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea
Property Insights of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea
The XLogP value of 2.4957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea. With a topological polar surface area (TPSA) of 48.98 Ų, 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea 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-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea?
The CAS number of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea is 454178-89-3.
What is the molecular formula of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea?
The molecular formula of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea is C11H14N4S2.
What is the molecular weight of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea?
The molecular weight of 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea is 266.07 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea?
You can request a quote for 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.