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Thietan-3-ylmethanol

CAT: 0127-OR1022500Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1499730-57-2
Purity
=95%
Smiles
OCC1CSC1

Chemical Information

(Thietan-3-yl)methanol
CAS Number1499730-57-2
PubChem CID21900837
IUPAC Namethietan-3-ylmethanol
Molecular FormulaC4H8OS
Molecular Weight104.17
XLogP0.2
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity42
SMILES
C1C(CS1)CO
InChI
InChI=1S/C4H8OS/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChIKey
WTRVLKQKYDECIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Thietan-3-yl)methanol
CAS: 1499730-57-2
CID: 21900837
Formula: C4H8OS
MW: 104.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.17
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass104.02958605
Monoisotopic Mass104.02958605
Topological Polar Surface Area45.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity42.8
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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