N-((hydroxyimino)methyl)benzenecarbothioamide
TL;DR: N-((hydroxyimino)methyl)benzenecarbothioamide (CAS 338779-29-6) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(hydroxyamino)methylidene]benzenecarbothioamide
Also Known As: N-((hydroxyimino)methyl)benzenecarbothioamide, N-[(hydroxyamino)methylidene]benzenecarbothioamide, Benzenecarbothioamide,N-[ methylene]-, N-[(hydroxyimino)methyl]benzenecarbothioamide, 6D-040
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.3692 |
| Topological Polar Surface Area | 44.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 284.36914 |
Chemical Identifiers
| CAS Number | 338779-29-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)N=CNO |
Product Overview
N-((hydroxyimino)methyl)benzenecarbothioamide (CAS 338779-29-6), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: N-[(hydroxyamino)methylidene]benzenecarbothioamide.
Chemical Property Profile of N-((hydroxyimino)methyl)benzenecarbothioamide
Property Insights of N-((hydroxyimino)methyl)benzenecarbothioamide
The XLogP value of 1.3692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((hydroxyimino)methyl)benzenecarbothioamide. With a topological polar surface area (TPSA) of 44.62 Ų, N-((hydroxyimino)methyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((hydroxyimino)methyl)benzenecarbothioamide has 2 hydrogen bond donor(s) and 2 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-((hydroxyimino)methyl)benzenecarbothioamide?
The CAS number of N-((hydroxyimino)methyl)benzenecarbothioamide is 338779-29-6.
What is the molecular formula of N-((hydroxyimino)methyl)benzenecarbothioamide?
The molecular formula of N-((hydroxyimino)methyl)benzenecarbothioamide is C8H8N2OS.
What is the molecular weight of N-((hydroxyimino)methyl)benzenecarbothioamide?
The molecular weight of N-((hydroxyimino)methyl)benzenecarbothioamide is 180.04 g/mol.
Where can I buy N-((hydroxyimino)methyl)benzenecarbothioamide?
You can request a quote for N-((hydroxyimino)methyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((hydroxyimino)methyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-((hydroxyimino)methyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.