1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-
TL;DR: 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- (CAS 606083-69-6) is a chemical compound with molecular formula C21H31N3S2 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide
Also Known As: ASN 06582113, 1-PIPERIDINECARBOTHIOAMIDE, 4-(2-BENZOTHIAZOLYL)-N-(1,1,3,3-TETRAMETHYLBUTYL)-, 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- (9CI), 4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide
| Molecular Formula | C21H31N3S2 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 5.565 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.19595 |
| Heavy Atoms | 26 |
| Complexity | 731.89935 |
Chemical Identifiers
| CAS Number | 606083-69-6 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2 |
Product Overview
1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- (CAS 606083-69-6), with molecular formula C21H31N3S2 and molecular weight 389.20 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide.
Chemical Property Profile of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-
Property Insights of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-
The XLogP value of 5.565 indicates that 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-?
The CAS number of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- is 606083-69-6.
What is the molecular formula of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-?
The molecular formula of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- is C21H31N3S2.
What is the molecular weight of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-?
The molecular weight of 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- is 389.20 g/mol.
Where can I buy 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-?
You can request a quote for 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(1,1,3,3-tetramethylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.