methyl N'-(propan-2-ylideneamino)carbamimidothioate
TL;DR: methyl N'-(propan-2-ylideneamino)carbamimidothioate (CAS 41208-11-1) is a chemical compound with molecular formula C5H11N3S and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(propan-2-ylideneamino)carbamimidothioate
Also Known As: methyl N'-(propan-2-ylideneamino)carbamimidothioate, 1-isopropylidene-3-methylthioisosemicarbazide, Methyl N'-(propan-2-ylidene)carbamohydrazonothioate, Methyl 2-(1-methylethylidene)hydrazinecarboximidothioate, Hydrazinecarboximidothioic acid, (1-methylethylidene)-, methyl ester
| Molecular Formula | C5H11N3S |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.06737 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 41208-11-1 |
|---|---|
| SMILES | CC(=NN=C(N)SC)C |
| InChIKey | RKPDHXGEFVRONA-UHFFFAOYSA-N |
Product Overview
methyl N'-(propan-2-ylideneamino)carbamimidothioate (CAS 41208-11-1), with molecular formula C5H11N3S and molecular weight 145.07 g/mol. IUPAC: methyl N'-(propan-2-ylideneamino)carbamimidothioate.
Chemical Property Profile of methyl N'-(propan-2-ylideneamino)carbamimidothioate
Property Insights of methyl N'-(propan-2-ylideneamino)carbamimidothioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(propan-2-ylideneamino)carbamimidothioate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(propan-2-ylideneamino)carbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(propan-2-ylideneamino)carbamimidothioate 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 methyl N'-(propan-2-ylideneamino)carbamimidothioate?
The CAS number of methyl N'-(propan-2-ylideneamino)carbamimidothioate is 41208-11-1.
What is the molecular formula of methyl N'-(propan-2-ylideneamino)carbamimidothioate?
The molecular formula of methyl N'-(propan-2-ylideneamino)carbamimidothioate is C5H11N3S.
What is the molecular weight of methyl N'-(propan-2-ylideneamino)carbamimidothioate?
The molecular weight of methyl N'-(propan-2-ylideneamino)carbamimidothioate is 145.07 g/mol.
Where can I buy methyl N'-(propan-2-ylideneamino)carbamimidothioate?
You can request a quote for methyl N'-(propan-2-ylideneamino)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-(propan-2-ylideneamino)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(propan-2-ylideneamino)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.