| CAS Number | 61249-37-4 |
| Catalog Number | AG00F4M8(AGN-PC-0L9GQY) |
| Chemical Name | N-benzyl-6-chloro-1,3-benzothiazol-2-amine |
| IUPAC Name | N-benzyl-6-chloro-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H11ClN2S/c15-11-6-7-12-13(8-11)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17) |
| InChI Key | FGUYDZANGPMTNM-UHFFFAOYSA-N |
| MDL Number | MFCD05263773 |
| Molecular Formula | C14H11ClN2S |
| Molecular Weight | 274.7685 |
| SMILES | ClC1=CC2=C(N=C(S2)NCC2=CC=CC=C2)C=C1 |
| Synonyms | N-benzyl-6-chloro-1,3-benzothiazol-2-amine,
61249-37-4,
N-benzyl-6-chlorobenzo[d]thiazol-2-amine,
AC1Q3JZ8,
AC1N894D,
CTK5B2919,
DTXSID40402100,
ZINC3887653,
AKOS005198818,
MCULE-3588628658,
NE20138,
EN300-09118,
2-Benzothiazolamine,6-chloro-N-(phenylmethyl)-,
AB00723408-01,
Z55993002,
F2146-0345,
ZINC03887653,
CID4340133,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.766g/mol |
| Monoisotopic Mass | 274.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number