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1-[Amino(nitramido)methylidene]-3-tert-butylthiourea
TL;DR: 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea (CAS 343374-79-8) is a chemical compound with molecular formula C6H13N5O2S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[amino(nitramido)methylidene]-3-tert-butylthiourea
Also Known As: 1-nitro 3-(N-tert-butyl thiocarbamoyl) guanidine, 1-(amino-nitramido-methylidene)-3-tert-butyl-thiourea, 1-[amino(nitramido)methylidene]-3-tert-butylthiourea
| Molecular Formula | C6H13N5O2S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | -0.2446 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.079 |
| Heavy Atoms | 14 |
| Complexity | 269.88565 |
Chemical Identifiers
| CAS Number | 343374-79-8 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N=C(N)N[N+](=O)[O-] |
Product Overview
1-[Amino(nitramido)methylidene]-3-tert-butylthiourea (CAS 343374-79-8), with molecular formula C6H13N5O2S and molecular weight 219.08 g/mol. IUPAC: 1-[amino(nitramido)methylidene]-3-tert-butylthiourea.
Chemical Property Profile of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea
Property Insights of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea
The XLogP value of -0.2446 indicates that 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea. Following Lipinski's Rule of Five, 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea has 3 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-[Amino(nitramido)methylidene]-3-tert-butylthiourea?
The CAS number of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea is 343374-79-8.
What is the molecular formula of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea?
The molecular formula of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea is C6H13N5O2S.
What is the molecular weight of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea?
The molecular weight of 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea is 219.08 g/mol.
Where can I buy 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea?
You can request a quote for 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[Amino(nitramido)methylidene]-3-tert-butylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.