66592-89-0
Product Name:
CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1:1)
Formula:
C5H9N3S.ClH
Synonyms:
4-Isothioureidobutyronitrile hydrochloride;Carbamimidothioic acid 3-cyanopropyl ester hydrochloride;Kevetrin hydrochloride;NSC 525990 HCl
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COMPUTED DESCRIPTORS
| Molecular Weight | 179.67 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 179.0283962 g/mol |
| Monoisotopic Mass | 179.0283962 g/mol |
| Topological Polar Surface Area | 99 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 134 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |