2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene

C14H14S4 — CID 76653554

IUPAC2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene
SMILESC(=Cc1ccccc1)CSSSCc1cccs1
InChIInChI=1S/C14H14S4/c1-2-6-13(7-3-1)8-4-11-16-18-17-12-14-9-5-10-15-14/h1-10H,11-12H2
InChIKeySAMOSNAIZYOHDL-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.99
Rot. Bonds7

About 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene

2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene (PubChem CID 76653554) has the molecular formula C14H14S4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene
PubChem CID76653554
Molecular FormulaC14H14S4
Molecular Weight310.53 g/mol
Exact Mass310.00
IUPAC Name2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene
SMILESC(=Cc1ccccc1)CSSSCc1cccs1
InChIInChI=1S/C14H14S4/c1-2-6-13(7-3-1)8-4-11-16-18-17-12-14-9-5-10-15-14/h1-10H,11-12H2
InChIKeySAMOSNAIZYOHDL-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.99
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene?
The IUPAC name of 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene (CID 76653554) is 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene.
What is the SMILES notation for 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene?
The canonical SMILES for 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene is C(=Cc1ccccc1)CSSSCc1cccs1.
What is the InChIKey of 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene?
The InChIKey is SAMOSNAIZYOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S4/c1-2-6-13(7-3-1)8-4-11-16-18-17-12-14-9-5-10-15-14/h1-10H,11-12H2.
What are the key properties of 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene?
2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene has a molecular weight of 310.53 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene is sourced from PubChem (CID 76653554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).