| CAS Number | 50289-20-8 |
| Catalog Number | AG00DN25(AGN-PC-0NKYS5) |
| Chemical Name | 4-Aminotetrahydrothiopyran-4-carbonitrile |
| IUPAC Name | 4-aminothiane-4-carbonitrile |
| InChI | InChI=1S/C6H10N2S/c7-5-6(8)1-3-9-4-2-6/h1-4,8H2 |
| InChI Key | CYWPCNCIUAEHBD-UHFFFAOYSA-N |
| MDL Number | MFCD09607997 |
| Molecular Formula | C6H10N2S |
| Molecular Weight | 142.2220 |
| SMILES | N#CC1(N)CCSCC1 |
| Synonyms | 50289-20-8,
4-aminothiane-4-carbonitrile,
4-aminotetrahydro-2H-thiopyran-4-carbonitrile,
4-Aminotetrahydrothiopyran-4-carbonitrile,
SCHEMBL2085552,
CTK4J2402,
DTXSID10578583,
CYWPCNCIUAEHBD-UHFFFAOYSA-N,
MFCD09607997,
ZINC26896786,
AKOS010574452,
NE21777,
4-amino-4-cyano-tetrahydro-4H-thiopyrane,
4-amino-tetrahydrothiopyran-4-carbonitrile,
4-amino-tetrahydro-2H-thiopyran-4-carbonitrile,
A67290,
2H-Thiopyran-4-carbonitrile, 4-aminotetrahydro-,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.22g/mol |
| Monoisotopic Mass | 142.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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