![(2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide structure](/static/products/529/529490-71-9.png)
(2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
TL;DR: (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 529490-71-9) is a chemical compound with molecular formula C20H20N4OS3 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide, (E)-N-allyl-2-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide, 1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea, 1-[[3-(benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea, N-ALLYL-2-((E)-1-{3-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C20H20N4OS3 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 4.5812 |
| Topological Polar Surface Area | 58.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.07993 |
| Heavy Atoms | 28 |
| Complexity | 967.0344 |
Chemical Identifiers
| CAS Number | 529490-71-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)CSC2=NC3=CC=CC=C3S2 |
Product Overview
(2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 529490-71-9), with molecular formula C20H20N4OS3 and molecular weight 428.08 g/mol. IUPAC: 1-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Property Insights of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
The XLogP value of 4.5812 indicates that (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.54 Ų, (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 6 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 (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The CAS number of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 529490-71-9.
What is the molecular formula of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is C20H20N4OS3.
What is the molecular weight of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 428.08 g/mol.
Where can I buy (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.