2-methyl-2-propan-2-ylsulfanylbutane

C8H18S — CID 525369

IUPAC2-methyl-2-propan-2-ylsulfanylbutane
SMILESCCC(C)(C)SC(C)C
InChIInChI=1S/C8H18S/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3
InChIKeyNCVWNQQEGJYSTR-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-2-propan-2-ylsulfanylbutane

2-methyl-2-propan-2-ylsulfanylbutane (PubChem CID 525369) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfanylbutane.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfanylbutane
PubChem CID525369
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2-methyl-2-propan-2-ylsulfanylbutane
SMILESCCC(C)(C)SC(C)C
InChIInChI=1S/C8H18S/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3
InChIKeyNCVWNQQEGJYSTR-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-methyl-2-propan-2-ylsulfanylbutane?
The IUPAC name of 2-methyl-2-propan-2-ylsulfanylbutane (CID 525369) is 2-methyl-2-propan-2-ylsulfanylbutane.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfanylbutane?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfanylbutane is CCC(C)(C)SC(C)C.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfanylbutane?
The InChIKey is NCVWNQQEGJYSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3.
What are the key properties of 2-methyl-2-propan-2-ylsulfanylbutane?
2-methyl-2-propan-2-ylsulfanylbutane has a molecular weight of 146.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfanylbutane is sourced from PubChem (CID 525369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).