2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)
TL;DR: 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) (CAS 92081-78-2) is a chemical compound with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1,3-benzothiazole-2-carbothioamide
Also Known As: N,N-dimethyl-1,3-benzothiazole-2-carbothioamide, 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI), 2-Benzothiazolecarbothioamide, N,N-dimethyl- (9CI)
| Molecular Formula | C10H10N2S2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.5334 |
| Topological Polar Surface Area | 16.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02853 |
| Heavy Atoms | 14 |
| Complexity | 440.68167 |
Chemical Identifiers
| CAS Number | 92081-78-2 |
|---|---|
| SMILES | CN(C)C(=S)C1=NC2=CC=CC=C2S1 |
Product Overview
2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) (CAS 92081-78-2), with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol. IUPAC: N,N-dimethyl-1,3-benzothiazole-2-carbothioamide.
Chemical Property Profile of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)
Property Insights of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)
The XLogP value of 2.5334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI). With a topological polar surface area (TPSA) of 16.13 Ų, 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) has 0 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 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)?
The CAS number of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) is 92081-78-2.
What is the molecular formula of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)?
The molecular formula of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) is C10H10N2S2.
What is the molecular weight of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)?
The molecular weight of 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) is 222.03 g/mol.
Where can I buy 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)?
You can request a quote for 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolecarbothioamide,N,N-dimethyl-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.