(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene

C8H14S4 — CID 11128369

IUPAC(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene
SMILESCS/C=C/CSSC/C=C/SC
InChIInChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyDMYGEKAQMJACKL-GGWOSOGESA-N
MW238.47 g/mol
LogP4.12
Rot. Bonds7

About (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene

(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene (PubChem CID 11128369) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene
PubChem CID11128369
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene
SMILESCS/C=C/CSSC/C=C/SC
InChIInChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyDMYGEKAQMJACKL-GGWOSOGESA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Allyl propyl disulfide
CID 16591
Allyl methyl disulfide
CID 62434
Diallyl Tetrasulfide
CID 75552
Methylallyl trisulfide
CID 61926
Methyl 1-propenyl sulfide
CID 637915
Di-1-propenyl sulfide
CID 5370448
Allyl methyl tetrasulfide
CID 525329
Diallyl hexasulfide
CID 9882013
Di-2-propenyl heptasulfide
CID 53854515
Allyl propyl trisulfide
CID 525330
Propenyl propyl disulfide
CID 5352908
(E)-1-Propenyl 2-propenyl disulfide
CID 5352855

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene?
The IUPAC name of (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene (CID 11128369) is (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene.
What is the SMILES notation for (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene?
The canonical SMILES for (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene is CS/C=C/CSSC/C=C/SC.
What is the InChIKey of (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene?
The InChIKey is DMYGEKAQMJACKL-GGWOSOGESA-N. The full InChI is InChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene?
(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene has a molecular weight of 238.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene is sourced from PubChem (CID 11128369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).