Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-
TL;DR: Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- (CAS 4300-92-9) is a chemical compound with molecular formula C11H15Cl2N3S and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-chloroethyl)amino]-3-phenylthiourea
Also Known As: 1,1-Bis(2-chloroethyl)-4-phenyl-3-thiosemicarbazide, 1,1-Bis(2-chloroethyl)-4-phenylthiosemicarbazide, Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-, 1-[bis(2-chloroethyl)amino]-3-phenylthiourea, 1,1-Bis-(2-chloroethyl)-4-phenyl-thiosemicarbazid
| Molecular Formula | C11H15Cl2N3S |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.6676 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.03638 |
| Heavy Atoms | 17 |
| Complexity | 328.74823 |
Chemical Identifiers
| CAS Number | 4300-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN(CCCl)CCCl |
Product Overview
Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- (CAS 4300-92-9), with molecular formula C11H15Cl2N3S and molecular weight 291.04 g/mol. IUPAC: 1-[bis(2-chloroethyl)amino]-3-phenylthiourea.
Chemical Property Profile of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-
Property Insights of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-
The XLogP value of 2.6676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-. With a topological polar surface area (TPSA) of 27.3 Ų, Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- 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 Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-?
The CAS number of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- is 4300-92-9.
What is the molecular formula of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-?
The molecular formula of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- is C11H15Cl2N3S.
What is the molecular weight of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-?
The molecular weight of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- is 291.04 g/mol.
Where can I buy Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-?
You can request a quote for Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-?
Yes, KEHONG BIO provides custom synthesis services for Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.