| CAS Number | 86415-54-5 |
| Catalog Number | AG019X9A(AGN-PC-00L00R) |
| Chemical Name | 4-(Dimethylamino)butanethioamide |
| IUPAC Name | 4-(dimethylamino)butanethioamide |
| InChI | InChI=1S/C6H14N2S/c1-8(2)5-3-4-6(7)9/h3-5H2,1-2H3,(H2,7,9) |
| InChI Key | KBMBGWFRNOQLRP-UHFFFAOYSA-N |
| MDL Number | MFCD09927765 |
| Molecular Formula | C6H14N2S |
| Molecular Weight | 146.2538 |
| SMILES | CN(CCCC(N)=S)C |
| Synonyms | 4-(dimethylamino)butanethioamide,
4-dimethylaminothiobutyramide,
86415-54-5,
AC1Q3WPR,
SCHEMBL10781612,
CTK6I0622,
KBMBGWFRNOQLRP-UHFFFAOYSA-N,
ZINC19422780,
AKOS000168216,
EN300-54393,
|
| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.252g/mol |
| Monoisotopic Mass | 146.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number