| CAS Number | 1269151-46-3 |
| Catalog Number | AG01AGPD(AGN-PC-0WOVAM) |
| Chemical Name | 2-(Ethylamino)-2-(pyridin-3-yl)ethanethioamide dihydrochloride |
| IUPAC Name | 2-(ethylamino)-2-pyridin-3-ylethanethioamide;dihydrochloride |
| InChI | InChI=1S/C9H13N3S.2ClH/c1-2-12-8(9(10)13)7-4-3-5-11-6-7;;/h3-6,8,12H,2H2,1H3,(H2,10,13);2*1H |
| InChI Key | OHJVZUSMEUMLCV-UHFFFAOYSA-N |
| MDL Number | MFCD18380617 |
| Molecular Formula | C9H15Cl2N3S |
| Molecular Weight | 268.2065 |
| SMILES | Cl.Cl.CCNC(C1=CN=CC=C1)C(N)=S |
| Synonyms | 2-(ethylamino)-2-(pyridin-3-yl)ethanethioamide dihydrochloride,
1269151-46-3,
AC1Q3AAQ,
AKOS026744376,
NE50025,
EN300-72501,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.2g/mol |
| Monoisotopic Mass | 267.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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