5-(disulfanyl)-4-methylpent-1-ene

C6H12S2 — CID 139390893

IUPAC5-(disulfanyl)-4-methylpent-1-ene
SMILESC=CCC(C)CSS
InChIInChI=1S/C6H12S2/c1-3-4-6(2)5-8-7/h3,6-7H,1,4-5H2,2H3
InChIKeyUXACCTJDHDLJTL-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.78
Rot. Bonds4

About 5-(disulfanyl)-4-methylpent-1-ene

5-(disulfanyl)-4-methylpent-1-ene (PubChem CID 139390893) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 5-(disulfanyl)-4-methylpent-1-ene.

Molecular Properties

Compound Name5-(disulfanyl)-4-methylpent-1-ene
PubChem CID139390893
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name5-(disulfanyl)-4-methylpent-1-ene
SMILESC=CCC(C)CSS
InChIInChI=1S/C6H12S2/c1-3-4-6(2)5-8-7/h3,6-7H,1,4-5H2,2H3
InChIKeyUXACCTJDHDLJTL-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-methyl-1-butenyl disulfide
CID 71587664
Hexa-1,5-dienyl trisulfide
CID 157009856
(e)-3-Methyl-1-butene-1-thiol
CID 18671126
4-ethyl-4H-thiopyran
CID 68340362
3-Methyl-butene-1-thiol
CID 73455828
4-Methylpentenylmercaptan
CID 74054429
i-Pentenyl methyl sulfide
CID 85440589
(z)-3-Methyl-1-butene-1-thiol
CID 89410530
Butenyl methyl disulphide
CID 129776655
3-Methyl-1-(methyldisulfanyl)but-1-ene
CID 57376046
[(E)-4-methylpent-1-enyl] thiohypofluorite
CID 169809913
2-Methyl-3-butene-1-thiol
CID 544256

Frequently Asked Questions

What is the IUPAC name of 5-(disulfanyl)-4-methylpent-1-ene?
The IUPAC name of 5-(disulfanyl)-4-methylpent-1-ene (CID 139390893) is 5-(disulfanyl)-4-methylpent-1-ene.
What is the SMILES notation for 5-(disulfanyl)-4-methylpent-1-ene?
The canonical SMILES for 5-(disulfanyl)-4-methylpent-1-ene is C=CCC(C)CSS.
What is the InChIKey of 5-(disulfanyl)-4-methylpent-1-ene?
The InChIKey is UXACCTJDHDLJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-4-6(2)5-8-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 5-(disulfanyl)-4-methylpent-1-ene?
5-(disulfanyl)-4-methylpent-1-ene has a molecular weight of 148.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(disulfanyl)-4-methylpent-1-ene is sourced from PubChem (CID 139390893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).