thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium

C10H9S4+ — CID 166447165

IUPACthiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium
SMILESC(=C\[SH+]c1cccs1)\Sc1cccs1
InChIInChI=1S/C10H8S4/c1-3-9(11-5-1)13-7-8-14-10-4-2-6-12-10/h1-8H/p+1/b8-7-
InChIKeyUGWROEJFMVTNOP-FPLPWBNLSA-O
MW257.45 g/mol
LogP4.25
Rot. Bonds4

About thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium

thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium (PubChem CID 166447165) has the molecular formula C10H9S4+ and a molecular weight of 257.45 g/mol. Its IUPAC name is thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium.

Molecular Properties

Compound Namethiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium
PubChem CID166447165
Molecular FormulaC10H9S4+
Molecular Weight257.45 g/mol
Exact Mass256.96
IUPAC Namethiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium
SMILESC(=C\[SH+]c1cccs1)\Sc1cccs1
InChIInChI=1S/C10H8S4/c1-3-9(11-5-1)13-7-8-14-10-4-2-6-12-10/h1-8H/p+1/b8-7-
InChIKeyUGWROEJFMVTNOP-FPLPWBNLSA-O
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium?
The IUPAC name of thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium (CID 166447165) is thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium.
What is the SMILES notation for thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium?
The canonical SMILES for thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium is C(=C\[SH+]c1cccs1)\Sc1cccs1.
What is the InChIKey of thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium?
The InChIKey is UGWROEJFMVTNOP-FPLPWBNLSA-O. The full InChI is InChI=1S/C10H8S4/c1-3-9(11-5-1)13-7-8-14-10-4-2-6-12-10/h1-8H/p+1/b8-7-.
What are the key properties of thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium?
thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium has a molecular weight of 257.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[(Z)-2-thiophen-2-ylsulfanylethenyl]sulfanium is sourced from PubChem (CID 166447165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).