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2,6-Dimethylthiomorpholine hydrochloride

CAT: 0926-GCC60343-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GCC60343-01Size:50 mg
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CAS Number
1306603-43-9
MDL Number
MFCD18838813
Smiles
CC1CNCC (S1) C.Cl
Molecular Formula
C6H14ClNS
Molecular Weight
167.7 g/mol
Controlled
No

Chemical Information

2,6-Dimethylthiomorpholine hydrochloride
CAS Number1306603-43-9
PubChem CID54593167
IUPAC Name2,6-dimethylthiomorpholine;hydrochloride
Molecular FormulaC6H14ClNS
Molecular Weight167.70
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity66
SMILES
CC1CNCC(S1)C.Cl
InChI
InChI=1S/C6H13NS.ClH/c1-5-3-7-4-6(2)8-5;/h5-7H,3-4H2,1-2H3;1H
InChIKey
ZABIWTBZIYPWMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethylthiomorpholine hydrochloride
CAS: 1306603-43-9
CID: 54593167
Formula: C6H14ClNS
MW: 167.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass167.0535483
Monoisotopic Mass167.0535483
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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