(Z)-1-ethylsulfanylbut-1-ene

C6H12S — CID 5463148

IUPAC(Z)-1-ethylsulfanylbut-1-ene
SMILESCC/C=C\SCC
InChIInChI=1S/C6H12S/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyMVRHATCWAFMVKV-WAYWQWQTSA-N
MW116.23 g/mol
LogP2.66
Rot. Bonds3

About (Z)-1-ethylsulfanylbut-1-ene

(Z)-1-ethylsulfanylbut-1-ene (PubChem CID 5463148) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (Z)-1-ethylsulfanylbut-1-ene.

Molecular Properties

Compound Name(Z)-1-ethylsulfanylbut-1-ene
PubChem CID5463148
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(Z)-1-ethylsulfanylbut-1-ene
SMILESCC/C=C\SCC
InChIInChI=1S/C6H12S/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyMVRHATCWAFMVKV-WAYWQWQTSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(E)-1-propylsulfanylbut-1-ene
CID 12664845
(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
CID 12704062
1-methylsulfanylbut-1-ene
CID 519416
S-[(Z)-but-1-enyl]thiohydroxylamine
CID 156570499
(E)-1-chloro-2-ethylsulfanylethene
CID 131242842
ethane;ethene;(Z)-1-ethylsulfanylprop-1-ene
CID 143200464
2-but-1-enylsulfanylethyl(triethoxy)silane
CID 154418740
2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
CID 88825199
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
1-prop-1-en-2-ylsulfanylbut-1-ene
CID 90761442
2-ethylsulfanylethenyl-methyl-methylideneazanium
CID 123759652

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanylbut-1-ene?
The IUPAC name of (Z)-1-ethylsulfanylbut-1-ene (CID 5463148) is (Z)-1-ethylsulfanylbut-1-ene.
What is the SMILES notation for (Z)-1-ethylsulfanylbut-1-ene?
The canonical SMILES for (Z)-1-ethylsulfanylbut-1-ene is CC/C=C\SCC.
What is the InChIKey of (Z)-1-ethylsulfanylbut-1-ene?
The InChIKey is MVRHATCWAFMVKV-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12S/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-1-ethylsulfanylbut-1-ene?
(Z)-1-ethylsulfanylbut-1-ene has a molecular weight of 116.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanylbut-1-ene is sourced from PubChem (CID 5463148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).