(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene

C7H12OS3 — CID 10176669

IUPAC(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSS/C=C\CS(C)=O
InChIInChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4-
InChIKeyFPQGSXSLZNUUFB-XQRVVYSFSA-N
MW208.37 g/mol
LogP2.45
Rot. Bonds6

About (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene

(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene (PubChem CID 10176669) has the molecular formula C7H12OS3 and a molecular weight of 208.37 g/mol. Its IUPAC name is (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene
PubChem CID10176669
Molecular FormulaC7H12OS3
Molecular Weight208.37 g/mol
Exact Mass208.01
IUPAC Name(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSS/C=C\CS(C)=O
InChIInChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4-
InChIKeyFPQGSXSLZNUUFB-XQRVVYSFSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene (CID 10176669) is (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene is C=CCSS/C=C\CS(C)=O.
What is the InChIKey of (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is FPQGSXSLZNUUFB-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4-.
What are the key properties of (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene?
(Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 208.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 10176669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).