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3-Thietanamine HCl

CAT: 0926-DFA86178Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-DFA86178Size:2.5 g
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CAS Number
128861-78-9
MDL Number
MFCD19982300
Smiles
C1C (CS1) N.Cl
Molecular Formula
C3H8ClNS
Molecular Weight
125.16 g/mol
Controlled
No

Chemical Information

Thietan-3-amine hydrochloride
CAS Number128861-78-9
PubChem CID57415798
IUPAC Namethietan-3-amine;hydrochloride
Molecular FormulaC3H8ClNS
Molecular Weight125.62
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity33
SMILES
C1C(CS1)N.Cl
InChI
InChI=1S/C3H7NS.ClH/c4-3-1-5-2-3;/h3H,1-2,4H2;1H
InChIKey
DELHLMMLBSGUAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thietan-3-amine hydrochloride
CAS: 128861-78-9
CID: 57415798
Formula: C3H8ClNS
MW: 125.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.0065981
Monoisotopic Mass125.0065981
Topological Polar Surface Area51.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity33.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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