2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane

C12H24OS2 — CID 91692887

IUPAC2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
SMILESCOC/C(=C/SC(C)(C)C)SC(C)(C)C
InChIInChI=1S/C12H24OS2/c1-11(2,3)14-9-10(8-13-7)15-12(4,5)6/h9H,8H2,1-7H3/b10-9-
InChIKeyPNZUOFRTZHOYNJ-KTKRTIGZSA-N
MW248.46 g/mol
LogP4.54
Rot. Bonds4

About 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane

2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane (PubChem CID 91692887) has the molecular formula C12H24OS2 and a molecular weight of 248.46 g/mol. Its IUPAC name is 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
PubChem CID91692887
Molecular FormulaC12H24OS2
Molecular Weight248.46 g/mol
Exact Mass248.13
IUPAC Name2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane
SMILESCOC/C(=C/SC(C)(C)C)SC(C)(C)C
InChIInChI=1S/C12H24OS2/c1-11(2,3)14-9-10(8-13-7)15-12(4,5)6/h9H,8H2,1-7H3/b10-9-
InChIKeyPNZUOFRTZHOYNJ-KTKRTIGZSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The IUPAC name of 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane (CID 91692887) is 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane.
What is the SMILES notation for 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The canonical SMILES for 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane is COC/C(=C/SC(C)(C)C)SC(C)(C)C.
What is the InChIKey of 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
The InChIKey is PNZUOFRTZHOYNJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H24OS2/c1-11(2,3)14-9-10(8-13-7)15-12(4,5)6/h9H,8H2,1-7H3/b10-9-.
What are the key properties of 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane?
2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane has a molecular weight of 248.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-tert-butylsulfanyl-3-methoxyprop-1-enyl]sulfanyl-2-methylpropane is sourced from PubChem (CID 91692887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).