| CAS Number | 736152-34-4 |
| Catalog Number | AG00FC7R |
| Chemical Name | N-Benzyl-5,7-dimethylbenzo[d]thiazol-2-amine |
| IUPAC Name | N-benzyl-5,7-dimethyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)18-16(19-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18) |
| InChI Key | HILBZYHLBNQVDI-UHFFFAOYSA-N |
| MDL Number | MFCD04615447 |
| Molecular Formula | C16H16N2S |
| Molecular Weight | 268.3766 |
| SMILES | CC1=C(SC(NCC2=CC=CC=C2)=N3)C3=CC(C)=C1 |
| Synonyms | N-benzyl-5,7-dimethyl-1,3-benzothiazol-2-amine,
736152-34-4,
N-Benzyl-5,7-dimethylbenzo[d]thiazol-2-amine,
AC1M7OZT,
AC1Q2I9G,
CTK6B4765,
ZINC3354354,
AKOS005198640,
MCULE-1915998535,
NE12907,
EN300-09236,
J-523474,
Z55176811,
ZINC03354354,
CID2471541,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.378g/mol |
| Monoisotopic Mass | 268.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number