4-ethenylsulfanylbut-1-ene

C6H10S — CID 552069

IUPAC4-ethenylsulfanylbut-1-ene
SMILESC=CCCSC=C
InChIInChI=1S/C6H10S/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2
InChIKeyOJZYOKVVXKDKDC-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.44
Rot. Bonds4

About 4-ethenylsulfanylbut-1-ene

4-ethenylsulfanylbut-1-ene (PubChem CID 552069) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 4-ethenylsulfanylbut-1-ene.

Molecular Properties

Compound Name4-ethenylsulfanylbut-1-ene
PubChem CID552069
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name4-ethenylsulfanylbut-1-ene
SMILESC=CCCSC=C
InChIInChI=1S/C6H10S/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2
InChIKeyOJZYOKVVXKDKDC-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
1-Propenyl propyl sulfide
CID 5366861
2,3-Dihydrothiophene
CID 136880
2,3-Dihydro-2-methylthiophene
CID 22054765
1-Buten-1-yl methyl sulfide
CID 519416
3-Butenyl thiocyanate
CID 11228778
Dihydrothiapyran
CID 303453
Propyl propenyl sulfide
CID 554181
Pent-4-en-1-yl thiocyanate
CID 14964968
Fluorodihydrothiophene
CID 18975117
4-(Methylsulfanyl)but-1-ene
CID 548387
2-methyl-3,4-dihydro-2H-thiopyran
CID 12570888

Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanylbut-1-ene?
The IUPAC name of 4-ethenylsulfanylbut-1-ene (CID 552069) is 4-ethenylsulfanylbut-1-ene.
What is the SMILES notation for 4-ethenylsulfanylbut-1-ene?
The canonical SMILES for 4-ethenylsulfanylbut-1-ene is C=CCCSC=C.
What is the InChIKey of 4-ethenylsulfanylbut-1-ene?
The InChIKey is OJZYOKVVXKDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 4-ethenylsulfanylbut-1-ene?
4-ethenylsulfanylbut-1-ene has a molecular weight of 114.21 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanylbut-1-ene is sourced from PubChem (CID 552069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).