| CAS Number | 24812-53-1 |
| Catalog Number | AG019MJA(AGN-PC-0R0K13) |
| Chemical Name | 3-(Dimethylamino)propanethioamide hydrochloride |
| IUPAC Name | 3-(dimethylamino)propanethioamide;hydrochloride |
| InChI | InChI=1S/C5H12N2S.ClH/c1-7(2)4-3-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H |
| InChI Key | HBMJCGSHZCTAJX-UHFFFAOYSA-N |
| MDL Number | MFCD10686889 |
| Molecular Formula | C5H13ClN2S |
| Molecular Weight | 168.6881 |
| SMILES | Cl.CN(CCC(N)=S)C |
| Synonyms | 3-(dimethylamino)propanethioamide hydrochloride,
24812-53-1,
AC1Q3BL1,
SCHEMBL8689668,
CTK6I0560,
MCULE-7085330063,
NE14792,
EN300-36371,
Z370706836,
3-(Dimethylamino)propanethioamide hydrochloride, AldrichCPR,
|
| Complexity | 80.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.683g/mol |
| Monoisotopic Mass | 168.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number