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4-Thiomorpholinecarbothioamide, n- (1,1-dimethylethyl) -

CAT: 0013-GTR19251940-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251940-01Size:100 mg
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Description
4-Thiomorpholinecarbothioamide, n- (1,1-dimethylethyl) -
CAS Number
883016-02-2
Smiles
CC (C) (C) NC (=S) N1CCSCC1
Molecular Formula
C9H18N2S2
Molecular Weight
218.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-tert-butylthiomorpholine-4-carbothioamide
CAS Number883016-02-2
PubChem CID2732140
IUPAC NameN-tert-butylthiomorpholine-4-carbothioamide
Molecular FormulaC9H18N2S2
Molecular Weight218.4
XLogP1.6
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
CC(C)(C)NC(=S)N1CCSCC1
InChI
InChI=1S/C9H18N2S2/c1-9(2,3)10-8(12)11-4-6-13-7-5-11/h4-7H2,1-3H3,(H,10,12)
InChIKey
AKSOJLYKSLERQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-tert-butylthiomorpholine-4-carbothioamide
CAS: 883016-02-2
CID: 2732140
Formula: C9H18N2S2
MW: 218.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass218.09114093
Monoisotopic Mass218.09114093
Topological Polar Surface Area72.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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