| CAS Number | 1092776-63-0 |
| Catalog Number | AG0095XQ |
| Chemical Name | IT1t (hydrochloride) |
| IUPAC Name | (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate;dihydrochloride |
| InChI | InChI=1S/C21H34N4S2.2ClH/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17;;/h14,16-17H,3-13,15H2,1-2H3,(H,22,23);2*1H |
| InChI Key | HFXJOXOIINQOEB-UHFFFAOYSA-N |
| MDL Number | MFCD22683853 |
| Molecular Formula | C21H36Cl2N4S2 |
| Molecular Weight | 479.5733 |
| SMILES | Cl.Cl.C1(CCCCC1)NC(=NC1CCCCC1)SCC=1N2C(SC1)=NC(C2)(C)C |
| Synonyms | IT1t dihydrochloride,
1092776-63-0,
IT1t (dihydrochloride),
AOB3034,
AKOS024458242,
CS-6446,
HY-101458A,
AS-16738,
CarbaMiMidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1,
N,N'-Dicyclohexylcarbamimidothioic acid (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl ester dihydrochloride,
|
| Complexity | 614 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.567g/mol |
| Monoisotopic Mass | 478.176g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number