4-(Aminomethyl)-4-hydroxy-1lambda6-thiane-1,1-dione Hydrochloride - CAS 1190044-30-4
Catalog: |
BB073302 |
Product Name: |
4-(Aminomethyl)-4-hydroxy-1lambda6-thiane-1,1-dione Hydrochloride |
CAS: |
1190044-30-4 |
Synonyms: |
4-(aminomethyl)tetrahydro-1-thiapyran-4-ol-1,1-dioxide hcl; 4-(aminomethyl)-1,1-dioxothian-4-ol; hydrochloride; 4-(Aminomethyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide hydrochloride; 4-(aminomethyl)-4-hydroxy-1lambda6-thiane-1,1-dione hydrochloride |
IUPAC Name: | 4-(aminomethyl)-1,1-dioxothian-4-olhydrochloride |
Molecular Weight: | 179.23 + (36.46) |
Molecular Formula: | C6H13NO3S·HCl |
Canonical SMILES: | C1CS(=O)(=O)CCC1(CN)O.Cl |
InChI: | InChI=1S/C6H13NO3S.ClH/c7-5-6(8)1-3-11(9,10)4-2-6/h8H,1-5,7H21H |
InChI Key: | ZSVQSDOSYBGNPJ-UHFFFAOYSA-N |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0382922 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0382922 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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