buta-1,3-diene;ethylsulfanylethane

C8H16S — CID 88659093

IUPACbuta-1,3-diene;ethylsulfanylethane
SMILESC=CC=C.CCSCC
InChIInChI=1S/C4H10S.C4H6/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAXVKOZUTCMVFOW-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.12
Rot. Bonds3

About buta-1,3-diene;ethylsulfanylethane

buta-1,3-diene;ethylsulfanylethane (PubChem CID 88659093) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is buta-1,3-diene;ethylsulfanylethane.

Molecular Properties

Compound Namebuta-1,3-diene;ethylsulfanylethane
PubChem CID88659093
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Namebuta-1,3-diene;ethylsulfanylethane
SMILESC=CC=C.CCSCC
InChIInChI=1S/C4H10S.C4H6/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAXVKOZUTCMVFOW-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;phosphane
CID 88694996
ethylsulfanylethane;palladium;dichloride
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buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
CID 174755451
CID 174755451
(111C)pent-1-ene
CID 177423582
buta-1,3-diene;ethylaluminum(2+);dichloride
CID 22753644
1-ethylsulfanylhex-5-en-2-amine
CID 65127956
buta-1,3-diene
CID 7845
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CID 175109121

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethylsulfanylethane?
The IUPAC name of buta-1,3-diene;ethylsulfanylethane (CID 88659093) is buta-1,3-diene;ethylsulfanylethane.
What is the SMILES notation for buta-1,3-diene;ethylsulfanylethane?
The canonical SMILES for buta-1,3-diene;ethylsulfanylethane is C=CC=C.CCSCC.
What is the InChIKey of buta-1,3-diene;ethylsulfanylethane?
The InChIKey is AXVKOZUTCMVFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.C4H6/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;ethylsulfanylethane?
buta-1,3-diene;ethylsulfanylethane has a molecular weight of 144.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethylsulfanylethane is sourced from PubChem (CID 88659093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).