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Spiro[2.3]hexane-5-carbothioamide

CAT: 0926-MKD69111-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MKD69111-01Size:50 mg
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CAS Number
2137691-11-1
MDL Number
MFCD30538279
Smiles
C1CC12CC (C2) C (=S) N
Molecular Formula
C7H11NS
Molecular Weight
141.2 g/mol
Controlled
No

Chemical Information

Spiro[2.3]hexane-5-carbothioamide
CAS Number2137691-11-1
PubChem CID125513033
IUPAC Namespiro[2.3]hexane-5-carbothioamide
Molecular FormulaC7H11NS
Molecular Weight141.24
XLogP1.2
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity152
SMILES
C1CC12CC(C2)C(=S)N
InChI
InChI=1S/C7H11NS/c8-6(9)5-3-7(4-5)1-2-7/h5H,1-4H2,(H2,8,9)
InChIKey
SQBMOCQXPODJFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro[2.3]hexane-5-carbothioamide
CAS: 2137691-11-1
CID: 125513033
Formula: C7H11NS
MW: 141.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.24
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass141.06122053
Monoisotopic Mass141.06122053
Topological Polar Surface Area58.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity152
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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CatalogName
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sc-3508085-bromothiophene-2-carbothioamide
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