(E)-1-butan-2-ylsulfanylbut-1-ene

C8H16S — CID 13096404

IUPAC(E)-1-butan-2-ylsulfanylbut-1-ene
SMILESCC/C=C/SC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyXDVUTWYAXRBGNL-VOTSOKGWSA-N
MW144.28 g/mol
LogP3.44
Rot. Bonds4

About (E)-1-butan-2-ylsulfanylbut-1-ene

(E)-1-butan-2-ylsulfanylbut-1-ene (PubChem CID 13096404) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (E)-1-butan-2-ylsulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-butan-2-ylsulfanylbut-1-ene
PubChem CID13096404
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(E)-1-butan-2-ylsulfanylbut-1-ene
SMILESCC/C=C/SC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyXDVUTWYAXRBGNL-VOTSOKGWSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
1-Propenyl propyl sulfide
CID 5366861
1-(1-Propenylthio)propyl propyl disulfide
CID 5352790
2,3-Dihydro-2-methylthiophene
CID 22054765
1-Buten-1-yl methyl sulfide
CID 519416
6-Ethyl-4,5,7-trithia-2,8-decadiene
CID 5352375
Sulfide, allyl pentyl
CID 525486
1-Propenyl 1-(1-propenylthio)propyl disulfide
CID 131752500
5-Methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
CID 163192635
Propyl propenyl sulfide
CID 554181
5-Methyl-4,7-dithia-1,9-decadiene
CID 6428997
Butenyl sulfide
CID 53858215

Frequently Asked Questions

What is the IUPAC name of (E)-1-butan-2-ylsulfanylbut-1-ene?
The IUPAC name of (E)-1-butan-2-ylsulfanylbut-1-ene (CID 13096404) is (E)-1-butan-2-ylsulfanylbut-1-ene.
What is the SMILES notation for (E)-1-butan-2-ylsulfanylbut-1-ene?
The canonical SMILES for (E)-1-butan-2-ylsulfanylbut-1-ene is CC/C=C/SC(C)CC.
What is the InChIKey of (E)-1-butan-2-ylsulfanylbut-1-ene?
The InChIKey is XDVUTWYAXRBGNL-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-1-butan-2-ylsulfanylbut-1-ene?
(E)-1-butan-2-ylsulfanylbut-1-ene has a molecular weight of 144.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-butan-2-ylsulfanylbut-1-ene is sourced from PubChem (CID 13096404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).