| CAS Number | 118314-08-2 |
| Catalog Number | AG01AAQQ(AGN-PC-0KZ00J) |
| Chemical Name | 5-(Cyclohexylmethyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C9H15N3S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12) |
| InChI Key | QOSURVNXIZBWCK-UHFFFAOYSA-N |
| MDL Number | MFCD02664067 |
| Molecular Formula | C9H15N3S |
| Molecular Weight | 197.3005 |
| SMILES | NC1SC(CC2CCCCC2)=NN=1 |
| Synonyms | 5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine,
118314-08-2,
AC1MVQ94,
AC1Q533E,
SCHEMBL3729037,
QOSURVNXIZBWCK-UHFFFAOYSA-N,
ZINC3716247,
AKOS009839111,
NE35749,
FT-0754599,
EN300-69318,
CID3711866,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.3g/mol |
| Monoisotopic Mass | 197.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number