| CAS Number | 35188-35-3 |
| Catalog Number | AG00IVXA(AGN-PC-0RAKRR) |
| Chemical Name | 1-Imino-1-lambda6-thian-1-one |
| IUPAC Name | 1-iminothiane 1-oxide |
| InChI | InChI=1S/C5H11NOS/c6-8(7)4-2-1-3-5-8/h6H,1-5H2 |
| InChI Key | UIBWDNFGDBQBDK-UHFFFAOYSA-N |
| MDL Number | MFCD28360936 |
| Molecular Formula | C5H11NOS |
| Molecular Weight | 133.2119 |
| SMILES | O=S1(CCCCC1)=N |
| Synonyms | 1-imino-1-lambda6-thian-1-one,
35188-35-3,
1-oxo-1-imino-1-thiacyclohexane,
SCHEMBL1973309,
KS-00002BGQ,
UIBWDNFGDBQBDK-UHFFFAOYSA-N,
AKOS030241966,
ZINC117677090,
SS-4975,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.209g/mol |
| Monoisotopic Mass | 133.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number