2-tert-butylsulfanyl-2-methylpropane

C8H18S — CID 7872

IUPAC2-tert-butylsulfanyl-2-methylpropane
SMILESCC(C)(C)SC(C)(C)C
InChIInChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
InChIKeyLNMBCRKRCIMQLW-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.32
Rot. Bonds

About 2-tert-butylsulfanyl-2-methylpropane

2-tert-butylsulfanyl-2-methylpropane (PubChem CID 7872) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-tert-butylsulfanyl-2-methylpropane
PubChem CID7872
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2-tert-butylsulfanyl-2-methylpropane
SMILESCC(C)(C)SC(C)(C)C
InChIInChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
InChIKeyLNMBCRKRCIMQLW-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-2-methylpropane?
The IUPAC name of 2-tert-butylsulfanyl-2-methylpropane (CID 7872) is 2-tert-butylsulfanyl-2-methylpropane.
What is the SMILES notation for 2-tert-butylsulfanyl-2-methylpropane?
The canonical SMILES for 2-tert-butylsulfanyl-2-methylpropane is CC(C)(C)SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-2-methylpropane?
The InChIKey is LNMBCRKRCIMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3.
What are the key properties of 2-tert-butylsulfanyl-2-methylpropane?
2-tert-butylsulfanyl-2-methylpropane has a molecular weight of 146.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-2-methylpropane is sourced from PubChem (CID 7872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).