3-Butyl-1,1-bis(2-chloroethyl)thiourea
TL;DR: 3-Butyl-1,1-bis(2-chloroethyl)thiourea (CAS 90645-21-9) is a chemical compound with molecular formula C9H18Cl2N2S and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1,1-bis(2-chloroethyl)thiourea
Also Known As: 3-butyl-1,1-bis(2-chloroethyl)thiourea, N'-Butyl-N,N-bis(2-chloroethyl)thiourea
| Molecular Formula | C9H18Cl2N2S |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.4406 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.05676 |
| Heavy Atoms | 14 |
| Complexity | 149.74738 |
Chemical Identifiers
| CAS Number | 90645-21-9 |
|---|---|
| SMILES | CCCCNC(=S)N(CCCl)CCCl |
Product Overview
3-Butyl-1,1-bis(2-chloroethyl)thiourea (CAS 90645-21-9), with molecular formula C9H18Cl2N2S and molecular weight 256.06 g/mol. IUPAC: 3-butyl-1,1-bis(2-chloroethyl)thiourea.
Chemical Property Profile of 3-Butyl-1,1-bis(2-chloroethyl)thiourea
Property Insights of 3-Butyl-1,1-bis(2-chloroethyl)thiourea
The XLogP value of 2.4406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1,1-bis(2-chloroethyl)thiourea. With a topological polar surface area (TPSA) of 15.27 Ų, 3-Butyl-1,1-bis(2-chloroethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1,1-bis(2-chloroethyl)thiourea has 1 hydrogen bond donor(s) and 1 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 3-Butyl-1,1-bis(2-chloroethyl)thiourea?
The CAS number of 3-Butyl-1,1-bis(2-chloroethyl)thiourea is 90645-21-9.
What is the molecular formula of 3-Butyl-1,1-bis(2-chloroethyl)thiourea?
The molecular formula of 3-Butyl-1,1-bis(2-chloroethyl)thiourea is C9H18Cl2N2S.
What is the molecular weight of 3-Butyl-1,1-bis(2-chloroethyl)thiourea?
The molecular weight of 3-Butyl-1,1-bis(2-chloroethyl)thiourea is 256.06 g/mol.
Where can I buy 3-Butyl-1,1-bis(2-chloroethyl)thiourea?
You can request a quote for 3-Butyl-1,1-bis(2-chloroethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1,1-bis(2-chloroethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1,1-bis(2-chloroethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.