(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene

C11H15ClS2 — CID 143051237

IUPAC(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene
SMILESC=C/C=C(/C)SCCS/C(Cl)=C\C=C
InChIInChI=1S/C11H15ClS2/c1-4-6-10(3)13-8-9-14-11(12)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-
InChIKeyLUPBOBBYLOLAON-SQXCDDPUSA-N
MW246.83 g/mol
LogP4.81
Rot. Bonds7

About (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene

(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene (PubChem CID 143051237) has the molecular formula C11H15ClS2 and a molecular weight of 246.83 g/mol. Its IUPAC name is (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene
PubChem CID143051237
Molecular FormulaC11H15ClS2
Molecular Weight246.83 g/mol
Exact Mass246.03
IUPAC Name(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene
SMILESC=C/C=C(/C)SCCS/C(Cl)=C\C=C
InChIInChI=1S/C11H15ClS2/c1-4-6-10(3)13-8-9-14-11(12)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-
InChIKeyLUPBOBBYLOLAON-SQXCDDPUSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene with MolForge

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Related Compounds

(1E,3E)-1-chloro-1-prop-2-enylsulfanyl-4-propylsulfanylbuta-1,3-diene
CID 134921058
(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene
CID 118518966
2-Chloro-5-methylsulfanylhexa-1,3,5-triene
CID 123187716
2-Chloro-5-propylsulfanylhexa-2,4-diene
CID 123251342
6-Chloro-3-propylsulfanylhepta-1,3,5-triene
CID 123414853
(3Z)-2-[(Z)-but-2-en-2-yl]sulfanyl-3-ethenylsulfanylpenta-1,3-diene
CID 124197169
(3E,5Z)-3-ethylsulfanylhepta-1,3,5-triene
CID 130410451
(3E)-5-propan-2-ylsulfanylpenta-1,3-diene
CID 134211962
(3Z)-2-ethylsulfanylhexa-1,3,5-triene
CID 139386618
2-chloro-2-methylpropane;(3E)-5-[(2E)-penta-2,4-dienyl]sulfanylpenta-1,3-diene
CID 141923126
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
CID 142053852
(3E,5E)-5-chloro-4-methylsulfanylhepta-1,3,5-triene
CID 142318528

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene?
The IUPAC name of (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene (CID 143051237) is (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene.
What is the SMILES notation for (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene?
The canonical SMILES for (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene is C=C/C=C(/C)SCCS/C(Cl)=C\C=C.
What is the InChIKey of (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene?
The InChIKey is LUPBOBBYLOLAON-SQXCDDPUSA-N. The full InChI is InChI=1S/C11H15ClS2/c1-4-6-10(3)13-8-9-14-11(12)7-5-2/h4-7H,1-2,8-9H2,3H3/b10-6-,11-7-.
What are the key properties of (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene?
(3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene has a molecular weight of 246.83 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[2-[(1E)-1-chlorobuta-1,3-dienyl]sulfanylethylsulfanyl]penta-1,3-diene is sourced from PubChem (CID 143051237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).