| CAS Number | 1609964-33-1 |
| Catalog Number | AG00ITXU(AGN-PC-0WB2SW) |
| Chemical Name | 1-Imino-1lambda6-thietan-1-one |
| IUPAC Name | 1-iminothietane 1-oxide |
| InChI | InChI=1S/C3H7NOS/c4-6(5)2-1-3-6/h4H,1-3H2 |
| InChI Key | ZEFVMVQDERGRCQ-UHFFFAOYSA-N |
| MDL Number | MFCD30717734 |
| Molecular Formula | C3H7NOS |
| Molecular Weight | 105.1588 |
| SMILES | O=S1(CCC1)=N |
| Synonyms | 1-imino-1lambda6-thietan-1-one,
1609964-33-1,
1-iminothietane 1-oxide,
SCHEMBL9820378,
KS-00002BGY,
ZEFVMVQDERGRCQ-UHFFFAOYSA-N,
S,S-(Propane-1,3-diyl)sulfoximine,
AKOS030253674,
ZINC167440288,
SS-4985,
J3.577.901I,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 105.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 105.155g/mol |
| Monoisotopic Mass | 105.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number