| CAS Number | 19688-92-7 |
| Catalog Number | AG019PST(AGN-PC-0JTJ74) |
| Chemical Name | [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile |
| IUPAC Name | (5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate |
| InChI | InChI=1S/C6H8N4S/c1-4-5(11-3-7)6(8)10(2)9-4/h8H2,1-2H3 |
| InChI Key | MYPHWOCJFGURMZ-UHFFFAOYSA-N |
| MDL Number | MFCD20441554 |
| Molecular Formula | C6H8N4S |
| Molecular Weight | 168.2195 |
| SMILES | CC1C(SC#N)=C(N)N(C)N=1 |
| Synonyms | [(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile,
19688-92-7,
AC1LCAL3,
Pyrazol-5-amine, 1,3-dimethyl-4-thiocyanato-,
MYPHWOCJFGURMZ-UHFFFAOYSA-N,
ZINC32207578,
AKOS017502387,
MCULE-7961409117,
NE16605,
1,3-dimethyl-4-thiocyanato-5-amino-pyrazole,
EN300-86391,
(5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate,
5-Amino-1,3-dimethyl-1H-pyrazol-4-yl thiocyanate #,
Z1259341136,
CID597716,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.218g/mol |
| Monoisotopic Mass | 168.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number