1,3-Dimethyl-3-nitrosothiourea
TL;DR: 1,3-Dimethyl-3-nitrosothiourea (CAS 79645-01-5) is a chemical compound with molecular formula C3H7N3OS and molecular weight 133.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1-nitrosothiourea
Also Known As: 1,3-dimethyl-1-nitrosothiourea, 1,3-dimethyl-3-nitrosothiourea, 1,3-dimethyl-1-nitroso-thiourea, N,N'-Dimethyl-N-nitrosothiourea, N1,N3-dimethyl-N1-nitrosothiourea
| Molecular Formula | C3H7N3OS |
|---|---|
| Molecular Weight | 133.03 g/mol |
| LogP | 0.1039 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.03099 |
| Heavy Atoms | 8 |
| Complexity | 104.70166 |
Chemical Identifiers
| CAS Number | 79645-01-5 |
|---|---|
| SMILES | CNC(=S)N(C)N=O |
Product Overview
1,3-Dimethyl-3-nitrosothiourea (CAS 79645-01-5), with molecular formula C3H7N3OS and molecular weight 133.03 g/mol. IUPAC: 1,3-dimethyl-1-nitrosothiourea.
Chemical Property Profile of 1,3-Dimethyl-3-nitrosothiourea
Property Insights of 1,3-Dimethyl-3-nitrosothiourea
The XLogP value of 0.1039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-3-nitrosothiourea. With a topological polar surface area (TPSA) of 44.7 Ų, 1,3-Dimethyl-3-nitrosothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-3-nitrosothiourea has 1 hydrogen bond donor(s) and 3 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 1,3-Dimethyl-3-nitrosothiourea?
The CAS number of 1,3-Dimethyl-3-nitrosothiourea is 79645-01-5.
What is the molecular formula of 1,3-Dimethyl-3-nitrosothiourea?
The molecular formula of 1,3-Dimethyl-3-nitrosothiourea is C3H7N3OS.
What is the molecular weight of 1,3-Dimethyl-3-nitrosothiourea?
The molecular weight of 1,3-Dimethyl-3-nitrosothiourea is 133.03 g/mol.
Where can I buy 1,3-Dimethyl-3-nitrosothiourea?
You can request a quote for 1,3-Dimethyl-3-nitrosothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-3-nitrosothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-3-nitrosothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.