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3- (tert-Butoxy) propane-1-thiol

CAT: 0926-GKC48515-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GKC48515-01Size:50 mg
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CAS Number
1506485-15-9
MDL Number
MFCD23817762
Smiles
CC (C) (C) OCCCS
Molecular Formula
C7H16OS
Molecular Weight
148.3 g/mol
Controlled
No

Chemical Information

3-(Tert-butoxy)propane-1-thiol
CAS Number1506485-15-9
PubChem CID80014310
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propane-1-thiol
Molecular FormulaC7H16OS
Molecular Weight148.27
XLogP1.7
Topological Polar Surface Area10.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
CC(C)(C)OCCCS
InChI
InChI=1S/C7H16OS/c1-7(2,3)8-5-4-6-9/h9H,4-6H2,1-3H3
InChIKey
VEWHQDKHOIXHOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Tert-butoxy)propane-1-thiol
CAS: 1506485-15-9
CID: 80014310
Formula: C7H16OS
MW: 148.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.27
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass148.09218630
Monoisotopic Mass148.09218630
Topological Polar Surface Area10.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.8
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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