![2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide structure](/static/products/6263/62638-92-0.webp)
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide
TL;DR: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide (CAS 62638-92-0) is a chemical compound with molecular formula C13H15N5OS2 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-prop-2-enylthiourea
Also Known As: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide, 1-(2-(BENZIMIDAZOL-2-YLTHIO)ACETYL)-4(PROP-2-ENYL)THIOSEMICARBAZIDE, F0331-0132, N-allyl-2-[2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetyl]-1-hydrazinecarbothioamide, 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-prop-2-enylthiourea
| Molecular Formula | C13H15N5OS2 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 1.3363 |
| Topological Polar Surface Area | 81.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0718 |
| Heavy Atoms | 21 |
| Complexity | 621.80396 |
Chemical Identifiers
| CAS Number | 62638-92-0 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1 |
Product Overview
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide (CAS 62638-92-0), with molecular formula C13H15N5OS2 and molecular weight 321.07 g/mol. IUPAC: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-prop-2-enylthiourea.
Chemical Property Profile of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide
Property Insights of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide
The XLogP value of 1.3363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide. The TPSA of 81.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide. Following Lipinski's Rule of Five, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide has 4 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-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide?
The CAS number of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide is 62638-92-0.
What is the molecular formula of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide?
The molecular formula of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide is C13H15N5OS2.
What is the molecular weight of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide?
The molecular weight of 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide is 321.07 g/mol.
Where can I buy 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide?
You can request a quote for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.