Benzenecarbothioamide, S-oxide
TL;DR: Benzenecarbothioamide, S-oxide (CAS 20199-04-6) is a chemical compound with molecular formula C7H7NOS and molecular weight 153.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(sulfinyl)methanamine
Also Known As: Thiobenzamide S-oxide, Thiobenzamide-S-oxide, phenyl(sulfinyl)methanamine, Benzenecarbothioamide, S-oxide, phenyl-sulfinylmethanamine
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 20199-04-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S=O)N |
| InChIKey | GZEKDPVRFJUKQC-UHFFFAOYSA-N |
Product Overview
Benzenecarbothioamide, S-oxide (CAS 20199-04-6), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: phenyl(sulfinyl)methanamine.
Chemical Property Profile of Benzenecarbothioamide, S-oxide
Property Insights of Benzenecarbothioamide, S-oxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, S-oxide. With a topological polar surface area (TPSA) of 44.1 Ų, Benzenecarbothioamide, S-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, S-oxide 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 Benzenecarbothioamide, S-oxide?
The CAS number of Benzenecarbothioamide, S-oxide is 20199-04-6.
What is the molecular formula of Benzenecarbothioamide, S-oxide?
The molecular formula of Benzenecarbothioamide, S-oxide is C7H7NOS.
What is the molecular weight of Benzenecarbothioamide, S-oxide?
The molecular weight of Benzenecarbothioamide, S-oxide is 153.02 g/mol.
Where can I buy Benzenecarbothioamide, S-oxide?
You can request a quote for Benzenecarbothioamide, S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.