1-(Benzylideneamino)-1,3-dimethylthiourea
TL;DR: 1-(Benzylideneamino)-1,3-dimethylthiourea (CAS 4277-77-4) is a chemical compound with molecular formula C10H13N3S and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylideneamino)-1,3-dimethylthiourea
Also Known As: 1-(benzylideneamino)-1,3-dimethylthiourea, 1-(benzylideneamino)-1,3-dimethyl-thiourea, 1-[(E)-benzylideneamino]-1,3-dimethylthiourea
| Molecular Formula | C10H13N3S |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 1.4566 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08302 |
| Heavy Atoms | 14 |
| Complexity | 321.3988 |
Chemical Identifiers
| CAS Number | 4277-77-4 |
|---|---|
| SMILES | CNC(=S)N(C)N=CC1=CC=CC=C1 |
Product Overview
1-(Benzylideneamino)-1,3-dimethylthiourea (CAS 4277-77-4), with molecular formula C10H13N3S and molecular weight 207.08 g/mol. IUPAC: 1-(benzylideneamino)-1,3-dimethylthiourea.
Chemical Property Profile of 1-(Benzylideneamino)-1,3-dimethylthiourea
Property Insights of 1-(Benzylideneamino)-1,3-dimethylthiourea
The XLogP value of 1.4566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzylideneamino)-1,3-dimethylthiourea. With a topological polar surface area (TPSA) of 27.63 Ų, 1-(Benzylideneamino)-1,3-dimethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylideneamino)-1,3-dimethylthiourea has 1 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-(Benzylideneamino)-1,3-dimethylthiourea?
The CAS number of 1-(Benzylideneamino)-1,3-dimethylthiourea is 4277-77-4.
What is the molecular formula of 1-(Benzylideneamino)-1,3-dimethylthiourea?
The molecular formula of 1-(Benzylideneamino)-1,3-dimethylthiourea is C10H13N3S.
What is the molecular weight of 1-(Benzylideneamino)-1,3-dimethylthiourea?
The molecular weight of 1-(Benzylideneamino)-1,3-dimethylthiourea is 207.08 g/mol.
Where can I buy 1-(Benzylideneamino)-1,3-dimethylthiourea?
You can request a quote for 1-(Benzylideneamino)-1,3-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylideneamino)-1,3-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylideneamino)-1,3-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.