| CAS Number | 107726-13-6 |
| Catalog Number | AG009KGC(AGN-PC-003IX2) |
| Chemical Name | 6-Propyl-1,3-benzothiazol-2-amine |
| IUPAC Name | 6-propyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C10H12N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h4-6H,2-3H2,1H3,(H2,11,12) |
| InChI Key | LBOPQKGVJMWWEA-UHFFFAOYSA-N |
| MDL Number | MFCD10689893 |
| Molecular Formula | C10H12N2S |
| Molecular Weight | 192.2807 |
| SMILES | CCCC1=CC2=C(N=C(S2)N)C=C1 |
| Synonyms | 6-propyl-1,3-benzothiazol-2-amine,
107726-13-6,
6-Propylbenzo[d]thiazol-2-amine,
CHEMBL94566,
SCHEMBL113955,
2-Benzothiazolamine, 6-propyl-,
6-Propyl-benzothiazol-2-ylamine,
LBOPQKGVJMWWEA-UHFFFAOYSA-N,
KS-000026NB,
MFCD10689893,
ZINC26516479,
AKOS009114951,
HG-0005,
MCULE-8431399257,
SC-64620,
2-Benzothiazolamine, 6-propyl- (9CI),
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.28g/mol |
| Monoisotopic Mass | 192.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number