1-Tert-butyl-3-(propan-2-ylideneamino)thiourea
TL;DR: 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea (CAS 63300-86-7) is a chemical compound with molecular formula C8H17N3S and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(propan-2-ylideneamino)thiourea
Also Known As: 3-tert-butyl-1-[(propan-2-ylidene)amino]thiourea, 1-tert-butyl-3-(propan-2-ylideneamino)thiourea, 4-tert-butyl-1-isopropylidenethiosemicarbazide, F0856-0111, N-(tert-butyl)-2-(propan-2-ylidene)hydrazine-1-carbothioamide
| Molecular Formula | C8H17N3S |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 1.6448 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.11432 |
| Heavy Atoms | 12 |
| Complexity | 186.96988 |
Chemical Identifiers
| CAS Number | 63300-86-7 |
|---|---|
| SMILES | CC(=NNC(=S)NC(C)(C)C)C |
Product Overview
1-Tert-butyl-3-(propan-2-ylideneamino)thiourea (CAS 63300-86-7), with molecular formula C8H17N3S and molecular weight 187.11 g/mol. IUPAC: 1-tert-butyl-3-(propan-2-ylideneamino)thiourea.
Chemical Property Profile of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea
Property Insights of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea
The XLogP value of 1.6448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea. With a topological polar surface area (TPSA) of 36.42 Ų, 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea has 2 hydrogen bond donor(s) and 2 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-Tert-butyl-3-(propan-2-ylideneamino)thiourea?
The CAS number of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea is 63300-86-7.
What is the molecular formula of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea?
The molecular formula of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea is C8H17N3S.
What is the molecular weight of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea?
The molecular weight of 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea is 187.11 g/mol.
Where can I buy 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea?
You can request a quote for 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(propan-2-ylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.