| CAS Number | 88394-37-0 |
| Catalog Number | AG004LIZ(AGN-PC-0LWTK6) |
| Chemical Name | 3-Methyl-5-(methylamino)isothiazole-4-carbonitrile |
| IUPAC Name | 3-methyl-5-(methylamino)-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C6H7N3S/c1-4-5(3-7)6(8-2)10-9-4/h8H,1-2H3 |
| InChI Key | GDPJRPDAKMCDSG-UHFFFAOYSA-N |
| MDL Number | MFCD07366455 |
| Molecular Formula | C6H7N3S |
| Molecular Weight | 153.2049 |
| SMILES | CNC1=C(C#N)C(C)=NS1 |
| Synonyms | 88394-37-0,
3-methyl-5-(methylamino)isothiazole-4-carbonitrile,
3-methyl-5-(methylamino)-1,2-thiazole-4-carbonitrile,
4-Isothiazolecarbonitrile,3-methyl-5-(methylamino)-,
AC1OFL5C,
AC1Q40V3,
CTK5F9769,
DTXSID80427913,
HMS1748K04,
ZINC4218718,
SBB078271,
AKOS005137382,
MCULE-4230582347,
NE17506,
EN300-15027,
Z118438292,
ZINC04218718,
CID7131304,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.203g/mol |
| Monoisotopic Mass | 153.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number