| CAS Number | 1247342-03-5 |
| Catalog Number | AG01AAWA(AGN-PC-0WO616) |
| Chemical Name | 4-(Methoxymethyl)-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-(methoxymethyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C9H10N2OS/c1-12-5-6-3-2-4-7-8(6)11-9(10)13-7/h2-4H,5H2,1H3,(H2,10,11) |
| InChI Key | JKVJADAMNCFLFD-UHFFFAOYSA-N |
| MDL Number | MFCD14680914 |
| Molecular Formula | C9H10N2OS |
| Molecular Weight | 194.2535 |
| SMILES | COCC1=C2C(SC(=N2)N)=CC=C1 |
| Synonyms | 4-(methoxymethyl)-1,3-benzothiazol-2-amine,
1247342-03-5,
AC1Q4FK3,
ZINC49509660,
AKOS010765994,
MCULE-5263330499,
NE54314,
EN300-69767,
Z1263820477,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.252g/mol |
| Monoisotopic Mass | 194.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number