5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene

C12H22S4 — CID 163192635

IUPAC5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
SMILESC=CCCC(SC)SSC(CCC=C)SC
InChIInChI=1S/C12H22S4/c1-5-7-9-11(13-3)15-16-12(14-4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyKFTVMDRFUQBQMU-UHFFFAOYSA-N
MW294.58 g/mol
LogP5.68
Rot. Bonds11

About 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene

5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene (PubChem CID 163192635) has the molecular formula C12H22S4 and a molecular weight of 294.58 g/mol. Its IUPAC name is 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene.

Molecular Properties

Compound Name5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
PubChem CID163192635
Molecular FormulaC12H22S4
Molecular Weight294.58 g/mol
Exact Mass294.06
IUPAC Name5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
SMILESC=CCCC(SC)SSC(CCC=C)SC
InChIInChI=1S/C12H22S4/c1-5-7-9-11(13-3)15-16-12(14-4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyKFTVMDRFUQBQMU-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.58
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Propenylthio)propyl propyl disulfide
CID 5352790
6-Ethyl-4,5,7-trithia-2,8-decadiene
CID 5352375
1-Propenyl 1-(1-propenylthio)propyl disulfide
CID 131752500
Disulfide, 1-propenyl 1-(1-propenylthio)propyl
CID 526194
Butenyl butyl sulfide
CID 85404793
Pentenyl butyl sulfide
CID 129735218
(E)-1-[(Z)-prop-1-enyl]sulfanyl-1-(3,4,4-trifluorobut-3-enylsulfanyl)pent-1-ene
CID 148355294
1-[(E)-but-1-enyl]sulfanylbutane
CID 11116182
4-Ethylsulfanyl-4-methylsulfanylhexa-1,2-diene
CID 12384785
4,4-Bis(methylsulfanyl)pent-1-ene
CID 12401981
4-[(E)-but-2-enyl]sulfanyl-4-methylsulfanylpent-1-ene
CID 12401991
4-[(E)-but-2-enyl]sulfanyl-4-methylsulfanylhex-1-ene
CID 12401994

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene?
The IUPAC name of 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene (CID 163192635) is 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene.
What is the SMILES notation for 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene?
The canonical SMILES for 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene is C=CCCC(SC)SSC(CCC=C)SC.
What is the InChIKey of 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene?
The InChIKey is KFTVMDRFUQBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S4/c1-5-7-9-11(13-3)15-16-12(14-4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene?
5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene has a molecular weight of 294.58 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene is sourced from PubChem (CID 163192635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).