N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
TL;DR: N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide (CAS 438237-02-6) is a chemical compound with molecular formula C13H13N3OS2 and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-prop-2-enylthiourea
Also Known As: 1-(1-benzothiophene-3-carbonylamino)-3-prop-2-enylthiourea, N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide, 2-(1-benzothiophen-3-ylcarbonyl)-N-(prop-2-en-1-yl)hydrazinecarbothioamide, benzo[b]thiophen-3-yl-N-{[(prop-2-enylamino)thioxomethyl]amino}carboxamide
| Molecular Formula | C13H13N3OS2 |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 2.1962 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05002 |
| Heavy Atoms | 19 |
| Complexity | 621.1308 |
Chemical Identifiers
| CAS Number | 438237-02-6 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 |
Product Overview
N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide (CAS 438237-02-6), with molecular formula C13H13N3OS2 and molecular weight 291.05 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
Property Insights of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide
The XLogP value of 2.1962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide has 3 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-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The CAS number of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is 438237-02-6.
What is the molecular formula of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The molecular formula of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is C13H13N3OS2.
What is the molecular weight of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
The molecular weight of N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide is 291.05 g/mol.
Where can I buy N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
You can request a quote for N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.