2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide
TL;DR: 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide (CAS 299169-91-8) is a chemical compound with molecular formula C10H12N4S2 and molecular weight 252.05 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-ethylthiourea
Also Known As: 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide, 1-[(1,3-benzothiazol-2-yl)amino]-3-ethylthiourea, 1-(1,3-benzothiazol-2-ylamino)-3-ethylthiourea, 1-(1,3-benzothiazol-2-ylamino)-3-ethyl-thiourea, 2-(Benzo[d]thiazol-2-yl)-N-ethylhydrazine-1-carbothioamide
| Molecular Formula | C10H12N4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 2.1072 |
| Topological Polar Surface Area | 48.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.05034 |
| Heavy Atoms | 16 |
| Complexity | 461.2796 |
Chemical Identifiers
| CAS Number | 299169-91-8 |
|---|---|
| SMILES | CCNC(=S)NNC1=NC2=CC=CC=C2S1 |
Product Overview
2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide (CAS 299169-91-8), with molecular formula C10H12N4S2 and molecular weight 252.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-ylamino)-3-ethylthiourea.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide
Property Insights of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide
The XLogP value of 2.1072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide. With a topological polar surface area (TPSA) of 48.98 Ų, 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide 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 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide?
The CAS number of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide is 299169-91-8.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide is C10H12N4S2.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide is 252.05 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-N-ethylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.