4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide Hydrochloride - CAS 1268991-10-1
Catalog: |
BB006698 |
Product Name: |
4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide Hydrochloride |
CAS: |
1268991-10-1 |
Synonyms: |
N-methyl-1,1-dioxo-4-thianamine;hydrochloride; N-methyl-1,1-dioxothian-4-amine;hydrochloride |
IUPAC Name: | N-methyl-1,1-dioxothian-4-amine;hydrochloride |
Description: | 4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide Hydrochloride (CAS# 1268991-10-1) is a useful research chemical. |
Molecular Weight: | 199.70 |
Molecular Formula: | C6H14ClNO2S |
Canonical SMILES: | CNC1CCS(=O)(=O)CC1.Cl |
InChI: | InChI=1S/C6H13NO2S.ClH/c1-7-6-2-4-10(8,9)5-3-6;/h6-7H,2-5H2,1H3;1H |
InChI Key: | SKCUNZJJXXZULG-UHFFFAOYSA-N |
LogP: | 2.05670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015246908-A1 | Klf5 modulators | 20120726 |
WO-2014018859-A1 | Klf5 modulators | 20120726 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0433776 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0433776 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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