![2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide structure](/static/products/4991/4991-70-2.webp)
2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide
TL;DR: 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide (CAS 4991-70-2) is a chemical compound with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]thiourea
Also Known As: 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide, [(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]thiourea, 2-[(7-Methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]hydrazine-1-carbothioamide, [(2-methoxy-8-oxo-9-oxa-7-thiabicyclo[4.3.0]nona-1,3,5-trien-4-yl)methylideneamino]thiourea
| Molecular Formula | C10H9N3O3S2 |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 1.0302 |
| Topological Polar Surface Area | 89.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.00854 |
| Heavy Atoms | 18 |
| Complexity | 674.54803 |
Chemical Identifiers
| CAS Number | 4991-70-2 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)C=NNC(=S)N)SC(=O)O2 |
Product Overview
2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide (CAS 4991-70-2), with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol. IUPAC: [(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]thiourea.
Chemical Property Profile of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide
Property Insights of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide
The XLogP value of 1.0302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide. The TPSA of 89.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]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 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide?
The CAS number of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide is 4991-70-2.
What is the molecular formula of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide?
The molecular formula of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide is C10H9N3O3S2.
What is the molecular weight of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide?
The molecular weight of 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide is 283.01 g/mol.
Where can I buy 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide?
You can request a quote for 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7-Methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.