N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine
TL;DR: N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine (CAS 4332-07-4) is a chemical compound with molecular formula C4H4N4O4S2 and molecular weight 235.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine
Also Known As: NCI60_031172, 1,4-Dithiane-2,3,5,6-tetrone, tetraoxime
| Molecular Formula | C4H4N4O4S2 |
|---|---|
| Molecular Weight | 235.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.96739 |
| Heavy Atoms | 14 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4332-07-4 |
|---|---|
| SMILES | C1(=C(SC(=NO)C(=NO)S1)N=O)NO |
| InChIKey | QQYTXHCUIMDIPN-UHFFFAOYSA-N |
Product Overview
N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine (CAS 4332-07-4), with molecular formula C4H4N4O4S2 and molecular weight 235.97 g/mol. IUPAC: N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine.
Chemical Property Profile of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine
Property Insights of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine. The TPSA of 177.0 Ų indicates high polarity, suggesting N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine has 4 hydrogen bond donor(s) and 10 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-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine?
The CAS number of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine is 4332-07-4.
What is the molecular formula of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine?
The molecular formula of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine is C4H4N4O4S2.
What is the molecular weight of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine?
The molecular weight of N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine is 235.97 g/mol.
Where can I buy N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine?
You can request a quote for N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for N-[5,6-bis(hydroxyimino)-3-nitroso-1,4-dithiin-2-yl]hydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.