3-异硫氰酸基苯胺
TL;DR: 3-异硫氰酸基苯胺 (CAS 75190-55-5) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-异硫氰酸基苯胺
3-isothiocyanatoaniline
Also Known As: 3-isothiocyanatoaniline, 3-Isothiocyanatobenzenamine, Hydrazine-carbsulfide, phenyl-, BENZENAMINE, 3-ISOTHIOCYANATO-, Benzenamine,3-isothiocyanato-
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 75190-55-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=C=S)N |
| InChIKey | WVVXNESNQXEEQV-UHFFFAOYSA-N |
Product Overview
3-异硫氰酸基苯胺 (CAS 75190-55-5), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 3-isothiocyanatoaniline.
Chemical Property Profile of 3-异硫氰酸基苯胺
Property Insights of 3-异硫氰酸基苯胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-异硫氰酸基苯胺. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-异硫氰酸基苯胺. Following Lipinski's Rule of Five, 3-异硫氰酸基苯胺 has 1 hydrogen bond donor(s) and 3 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-异硫氰酸基苯胺?
The CAS number of 3-异硫氰酸基苯胺 is 75190-55-5.
What is the molecular formula of 3-异硫氰酸基苯胺?
The molecular formula of 3-异硫氰酸基苯胺 is C7H6N2S.
What is the molecular weight of 3-异硫氰酸基苯胺?
The molecular weight of 3-异硫氰酸基苯胺 is 150.03 g/mol.
Where can I buy 3-异硫氰酸基苯胺?
You can request a quote for 3-异硫氰酸基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-异硫氰酸基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-异硫氰酸基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.