1-ethylsulfanylpropa-1,2-diene

C5H8S — CID 13235002

IUPAC1-ethylsulfanylpropa-1,2-diene
SMILESC=C=CSCC
InChIInChI=1S/C5H8S/c1-3-5-6-4-2/h5H,1,4H2,2H3
InChIKeyCKHZXZNQASCINF-UHFFFAOYSA-N
MW100.19 g/mol
LogP2.04
Rot. Bonds2

About 1-ethylsulfanylpropa-1,2-diene

1-ethylsulfanylpropa-1,2-diene (PubChem CID 13235002) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 1-ethylsulfanylpropa-1,2-diene.

Molecular Properties

Compound Name1-ethylsulfanylpropa-1,2-diene
PubChem CID13235002
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name1-ethylsulfanylpropa-1,2-diene
SMILESC=C=CSCC
InChIInChI=1S/C5H8S/c1-3-5-6-4-2/h5H,1,4H2,2H3
InChIKeyCKHZXZNQASCINF-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylsulfanylpropa-1,2-diene
CID 637950
propa-1,2-dienyl thiohypochlorite
CID 88788162
ethane;ethene;(Z)-1-ethylsulfanylprop-1-ene
CID 143200464
ethenylsulfanylethane;ethoxyethane
CID 174814093
(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
(E)-1-chloro-2-ethylsulfanylethene
CID 131242842
2-ethylsulfanylethenyl-methyl-methylideneazanium
CID 123759652
but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane
CID 143033404
methane;propa-1,2-diene;propane
CID 160788212
N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
CID 138672631
(E)-7-ethylsulfanyl-3-methylhept-6-en-4-yn-3-ol
CID 12577049
(Z)-5,5-diethoxy-1-ethylsulfanylpent-1-en-3-yne
CID 134878544

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylpropa-1,2-diene?
The IUPAC name of 1-ethylsulfanylpropa-1,2-diene (CID 13235002) is 1-ethylsulfanylpropa-1,2-diene.
What is the SMILES notation for 1-ethylsulfanylpropa-1,2-diene?
The canonical SMILES for 1-ethylsulfanylpropa-1,2-diene is C=C=CSCC.
What is the InChIKey of 1-ethylsulfanylpropa-1,2-diene?
The InChIKey is CKHZXZNQASCINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-3-5-6-4-2/h5H,1,4H2,2H3.
What are the key properties of 1-ethylsulfanylpropa-1,2-diene?
1-ethylsulfanylpropa-1,2-diene has a molecular weight of 100.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylpropa-1,2-diene is sourced from PubChem (CID 13235002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).