硫脲S,S-二氧化物
TL;DR: 硫脲S,S-二氧化物 (CAS 33022-02-5) is a chemical compound with molecular formula C8H14ClN3O4S and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫脲S,S-二氧化物
1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)-1-nitrosourea
Also Known As: Urea, S,S-dioxide, 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)-1-nitrosourea, 1-(2-Chloroethyl)-3-(tetrahydro-2H-thiopyran-4-yl)-1-nitrosourea S,S-dioxide, N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea S,S-dioxide, Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide
| Molecular Formula | C8H14ClN3O4S |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.03937 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 33022-02-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CCC1NC(=O)N(CCCl)N=O |
| InChIKey | MHOURTKZILVYRM-UHFFFAOYSA-N |
Product Overview
硫脲S,S-二氧化物 (CAS 33022-02-5), with molecular formula C8H14ClN3O4S and molecular weight 283.04 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)-1-nitrosourea.
Chemical Property Profile of 硫脲S,S-二氧化物
Property Insights of 硫脲S,S-二氧化物
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫脲S,S-二氧化物. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫脲S,S-二氧化物. Following Lipinski's Rule of Five, 硫脲S,S-二氧化物 has 1 hydrogen bond donor(s) and 5 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 硫脲S,S-二氧化物?
The CAS number of 硫脲S,S-二氧化物 is 33022-02-5.
What is the molecular formula of 硫脲S,S-二氧化物?
The molecular formula of 硫脲S,S-二氧化物 is C8H14ClN3O4S.
What is the molecular weight of 硫脲S,S-二氧化物?
The molecular weight of 硫脲S,S-二氧化物 is 283.04 g/mol.
Where can I buy 硫脲S,S-二氧化物?
You can request a quote for 硫脲S,S-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫脲S,S-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 硫脲S,S-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.