1-ethenylsulfanylbuta-1,3-diene

C6H8S — CID 86260156

IUPAC1-ethenylsulfanylbuta-1,3-diene
SMILESC=CC=CSC=C
InChIInChI=1S/C6H8S/c1-3-5-6-7-4-2/h3-6H,1-2H2
InChIKeySNEFETSIGZTFOC-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.56
Rot. Bonds3

About 1-ethenylsulfanylbuta-1,3-diene

1-ethenylsulfanylbuta-1,3-diene (PubChem CID 86260156) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 1-ethenylsulfanylbuta-1,3-diene.

Molecular Properties

Compound Name1-ethenylsulfanylbuta-1,3-diene
PubChem CID86260156
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name1-ethenylsulfanylbuta-1,3-diene
SMILESC=CC=CSC=C
InChIInChI=1S/C6H8S/c1-3-5-6-7-4-2/h3-6H,1-2H2
InChIKeySNEFETSIGZTFOC-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.56
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

(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene
CID 89037486
ethenylsulfanylethene;hydrate
CID 137369807
S-[(1Z)-buta-1,3-dienyl]sulfanylthiohydroxylamine
CID 89028670
ethane;ethenylsulfanylethene
CID 142048646
1-propan-2-ylsulfanylbuta-1,3-diene
CID 559219
(Z)-2-ethenylsulfanyl-N-iodoethenamine
CID 89126075
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
[(1E)-buta-1,3-dienyl]azanium
CID 102151090
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
CID 134898449
CID 134898449
2-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylethanamine;ethane
CID 142050363

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylbuta-1,3-diene?
The IUPAC name of 1-ethenylsulfanylbuta-1,3-diene (CID 86260156) is 1-ethenylsulfanylbuta-1,3-diene.
What is the SMILES notation for 1-ethenylsulfanylbuta-1,3-diene?
The canonical SMILES for 1-ethenylsulfanylbuta-1,3-diene is C=CC=CSC=C.
What is the InChIKey of 1-ethenylsulfanylbuta-1,3-diene?
The InChIKey is SNEFETSIGZTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-3-5-6-7-4-2/h3-6H,1-2H2.
What are the key properties of 1-ethenylsulfanylbuta-1,3-diene?
1-ethenylsulfanylbuta-1,3-diene has a molecular weight of 112.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylbuta-1,3-diene is sourced from PubChem (CID 86260156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).