methane;2-propan-2-ylsulfanylpropane

C7H18S — CID 172836255

IUPACmethane;2-propan-2-ylsulfanylpropane
SMILESC.CC(C)SC(C)C
InChIInChI=1S/C6H14S.CH4/c1-5(2)7-6(3)4;/h5-6H,1-4H3;1H4
InChIKeyWENRSUDNUBFFLJ-UHFFFAOYSA-N
MW134.29 g/mol
LogP3.17
Rot. Bonds2

About methane;2-propan-2-ylsulfanylpropane

methane;2-propan-2-ylsulfanylpropane (PubChem CID 172836255) has the molecular formula C7H18S and a molecular weight of 134.29 g/mol. Its IUPAC name is methane;2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Namemethane;2-propan-2-ylsulfanylpropane
PubChem CID172836255
Molecular FormulaC7H18S
Molecular Weight134.29 g/mol
Exact Mass134.11
IUPAC Namemethane;2-propan-2-ylsulfanylpropane
SMILESC.CC(C)SC(C)C
InChIInChI=1S/C6H14S.CH4/c1-5(2)7-6(3)4;/h5-6H,1-4H3;1H4
InChIKeyWENRSUDNUBFFLJ-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylsulfanylpropane?
The IUPAC name of methane;2-propan-2-ylsulfanylpropane (CID 172836255) is methane;2-propan-2-ylsulfanylpropane.
What is the SMILES notation for methane;2-propan-2-ylsulfanylpropane?
The canonical SMILES for methane;2-propan-2-ylsulfanylpropane is C.CC(C)SC(C)C.
What is the InChIKey of methane;2-propan-2-ylsulfanylpropane?
The InChIKey is WENRSUDNUBFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S.CH4/c1-5(2)7-6(3)4;/h5-6H,1-4H3;1H4.
What are the key properties of methane;2-propan-2-ylsulfanylpropane?
methane;2-propan-2-ylsulfanylpropane has a molecular weight of 134.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 172836255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).