4-methylsulfanylbut-1-ene

C5H10S — CID 548387

IUPAC4-methylsulfanylbut-1-ene
SMILESC=CCCSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h3H,1,4-5H2,2H3
InChIKeyKTYYHDZDBJAYQT-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.93
Rot. Bonds3

About 4-methylsulfanylbut-1-ene

4-methylsulfanylbut-1-ene (PubChem CID 548387) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 4-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name4-methylsulfanylbut-1-ene
PubChem CID548387
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name4-methylsulfanylbut-1-ene
SMILESC=CCCSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h3H,1,4-5H2,2H3
InChIKeyKTYYHDZDBJAYQT-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.93
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

Allyl methyl sulfide
CID 66282
3-(Propylthio)propene
CID 98781
1-(Methylthio)-1-butene, (1E)-
CID 5368103
Methyl 1-(1-propenylthio)propyl disulfide
CID 5352728
1-Propenyl propyl sulfide
CID 5366861
Allyl sec-butyl sulfide
CID 144394
2,3-Dihydrothiophene
CID 136880
2,3-Dihydro-2-methylthiophene
CID 22054765
1-Buten-1-yl methyl sulfide
CID 519416
1-Butene, 2-methyl-4-(methylthio)-
CID 6453823
(-)-1-(Methylthio)propyl 1-propenyl disulfide
CID 88159528
(E)-Ethyl-1-propenylsulfide
CID 5463369

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylbut-1-ene?
The IUPAC name of 4-methylsulfanylbut-1-ene (CID 548387) is 4-methylsulfanylbut-1-ene.
What is the SMILES notation for 4-methylsulfanylbut-1-ene?
The canonical SMILES for 4-methylsulfanylbut-1-ene is C=CCCSC.
What is the InChIKey of 4-methylsulfanylbut-1-ene?
The InChIKey is KTYYHDZDBJAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-3-4-5-6-2/h3H,1,4-5H2,2H3.
What are the key properties of 4-methylsulfanylbut-1-ene?
4-methylsulfanylbut-1-ene has a molecular weight of 102.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylbut-1-ene is sourced from PubChem (CID 548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).