1-ethylsulfanyl-2-methylprop-1-ene

C6H12S — CID 520320

IUPAC1-ethylsulfanyl-2-methylprop-1-ene
SMILESCCSC=C(C)C
InChIInChI=1S/C6H12S/c1-4-7-5-6(2)3/h5H,4H2,1-3H3
InChIKeyWVQJKWZZGMMVDK-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.66
Rot. Bonds2

About 1-ethylsulfanyl-2-methylprop-1-ene

1-ethylsulfanyl-2-methylprop-1-ene (PubChem CID 520320) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-methylprop-1-ene.

Molecular Properties

Compound Name1-ethylsulfanyl-2-methylprop-1-ene
PubChem CID520320
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name1-ethylsulfanyl-2-methylprop-1-ene
SMILESCCSC=C(C)C
InChIInChI=1S/C6H12S/c1-4-7-5-6(2)3/h5H,4H2,1-3H3
InChIKeyWVQJKWZZGMMVDK-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-methylprop-1-ene?
The IUPAC name of 1-ethylsulfanyl-2-methylprop-1-ene (CID 520320) is 1-ethylsulfanyl-2-methylprop-1-ene.
What is the SMILES notation for 1-ethylsulfanyl-2-methylprop-1-ene?
The canonical SMILES for 1-ethylsulfanyl-2-methylprop-1-ene is CCSC=C(C)C.
What is the InChIKey of 1-ethylsulfanyl-2-methylprop-1-ene?
The InChIKey is WVQJKWZZGMMVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-4-7-5-6(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-2-methylprop-1-ene?
1-ethylsulfanyl-2-methylprop-1-ene has a molecular weight of 116.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-methylprop-1-ene is sourced from PubChem (CID 520320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).