1-Benzyl-3-(methylcarbamothioylamino)thiourea
TL;DR: 1-Benzyl-3-(methylcarbamothioylamino)thiourea (CAS 54830-14-7) is a chemical compound with molecular formula C10H14N4S2 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(methylcarbamothioylamino)thiourea
Also Known As: 1-benzyl-3-(methylcarbamothioylamino)thiourea, N-benzyl-N'-methylhydrazine-1,2-dicarbothioamide, 1-benzyl-3-[(methylcarbamothioyl)amino]thiourea, 1-[(BENZYLCARBAMOTHIOYL)AMINO]-3-METHYLTHIOUREA, N(1)-BENZYL-N(2)-METHYL-1,2-HYDRAZINEDICARBOTHIOAMIDE
| Molecular Formula | C10H14N4S2 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 0.6596 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.066 |
| Heavy Atoms | 16 |
| Complexity | 353.09647 |
Chemical Identifiers
| CAS Number | 54830-14-7 |
|---|---|
| SMILES | CNC(=S)NNC(=S)NCC1=CC=CC=C1 |
Product Overview
1-Benzyl-3-(methylcarbamothioylamino)thiourea (CAS 54830-14-7), with molecular formula C10H14N4S2 and molecular weight 254.07 g/mol. IUPAC: 1-benzyl-3-(methylcarbamothioylamino)thiourea.
Chemical Property Profile of 1-Benzyl-3-(methylcarbamothioylamino)thiourea
Property Insights of 1-Benzyl-3-(methylcarbamothioylamino)thiourea
The XLogP value of 0.6596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(methylcarbamothioylamino)thiourea. With a topological polar surface area (TPSA) of 48.12 Ų, 1-Benzyl-3-(methylcarbamothioylamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(methylcarbamothioylamino)thiourea has 4 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-Benzyl-3-(methylcarbamothioylamino)thiourea?
The CAS number of 1-Benzyl-3-(methylcarbamothioylamino)thiourea is 54830-14-7.
What is the molecular formula of 1-Benzyl-3-(methylcarbamothioylamino)thiourea?
The molecular formula of 1-Benzyl-3-(methylcarbamothioylamino)thiourea is C10H14N4S2.
What is the molecular weight of 1-Benzyl-3-(methylcarbamothioylamino)thiourea?
The molecular weight of 1-Benzyl-3-(methylcarbamothioylamino)thiourea is 254.07 g/mol.
Where can I buy 1-Benzyl-3-(methylcarbamothioylamino)thiourea?
You can request a quote for 1-Benzyl-3-(methylcarbamothioylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(methylcarbamothioylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(methylcarbamothioylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.