2-methoxy-2-methylbutane;sulfane

C6H16OS — CID 174404434

IUPAC2-methoxy-2-methylbutane;sulfane
SMILESCCC(C)(C)OC.S
InChIInChI=1S/C6H14O.H2S/c1-5-6(2,3)7-4;/h5H2,1-4H3;1H2
InChIKeyHUKXDAZGGDSXLV-UHFFFAOYSA-N
MW136.26 g/mol
LogP1.93
Rot. Bonds2

About 2-methoxy-2-methylbutane;sulfane

2-methoxy-2-methylbutane;sulfane (PubChem CID 174404434) has the molecular formula C6H16OS and a molecular weight of 136.26 g/mol. Its IUPAC name is 2-methoxy-2-methylbutane;sulfane.

Molecular Properties

Compound Name2-methoxy-2-methylbutane;sulfane
PubChem CID174404434
Molecular FormulaC6H16OS
Molecular Weight136.26 g/mol
Exact Mass136.09
IUPAC Name2-methoxy-2-methylbutane;sulfane
SMILESCCC(C)(C)OC.S
InChIInChI=1S/C6H14O.H2S/c1-5-6(2,3)7-4;/h5H2,1-4H3;1H2
InChIKeyHUKXDAZGGDSXLV-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylbutane;sulfane?
The IUPAC name of 2-methoxy-2-methylbutane;sulfane (CID 174404434) is 2-methoxy-2-methylbutane;sulfane.
What is the SMILES notation for 2-methoxy-2-methylbutane;sulfane?
The canonical SMILES for 2-methoxy-2-methylbutane;sulfane is CCC(C)(C)OC.S.
What is the InChIKey of 2-methoxy-2-methylbutane;sulfane?
The InChIKey is HUKXDAZGGDSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.H2S/c1-5-6(2,3)7-4;/h5H2,1-4H3;1H2.
What are the key properties of 2-methoxy-2-methylbutane;sulfane?
2-methoxy-2-methylbutane;sulfane has a molecular weight of 136.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylbutane;sulfane is sourced from PubChem (CID 174404434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).