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4-Methoxy-2-methyl-2-butanethiol

CAT: 0926-FM00056-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FM00056-01Size:1 g
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CAS Number
94087-83-9
MDL Number
MFCD08437076
Smiles
CC (C) (CCOC) S
Molecular Formula
C6H14OS
Molecular Weight
134.24 g/mol
Controlled
No

Chemical Information

4-Methoxy-2-methyl-2-butanethiol

4-Methoxy-2-methyl-2-butanethiol is an ether.

CAS Number94087-83-9
PubChem CID526195
IUPAC Name4-methoxy-2-methylbutane-2-thiol
Molecular FormulaC6H14OS
Molecular Weight134.24
XLogP1.3
Topological Polar Surface Area10.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity61
SMILES
CC(C)(CCOC)S
InChI
InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3
InChIKey
XVHGKKGBUDMTIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-2-methyl-2-butanethiol
CAS: 94087-83-9
CID: 526195
Formula: C6H14OS
MW: 134.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.24
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass134.07653624
Monoisotopic Mass134.07653624
Topological Polar Surface Area10.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity61.5
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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