2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene

C12H14S5 — CID 2022119

IUPAC2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene
SMILESCCSc1ccc(Sc2ccc(SCC)s2)s1
InChIInChI=1S/C12H14S5/c1-3-13-9-5-7-11(15-9)17-12-8-6-10(16-12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKeyUOVRIBRKRLFJAQ-UHFFFAOYSA-N
MW318.58 g/mol
LogP6.18
Rot. Bonds6

About 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene

2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene (PubChem CID 2022119) has the molecular formula C12H14S5 and a molecular weight of 318.58 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene
PubChem CID2022119
Molecular FormulaC12H14S5
Molecular Weight318.58 g/mol
Exact Mass317.97
IUPAC Name2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene
SMILESCCSc1ccc(Sc2ccc(SCC)s2)s1
InChIInChI=1S/C12H14S5/c1-3-13-9-5-7-11(15-9)17-12-8-6-10(16-12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKeyUOVRIBRKRLFJAQ-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene?
The IUPAC name of 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene (CID 2022119) is 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene.
What is the SMILES notation for 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene?
The canonical SMILES for 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene is CCSc1ccc(Sc2ccc(SCC)s2)s1.
What is the InChIKey of 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene?
The InChIKey is UOVRIBRKRLFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S5/c1-3-13-9-5-7-11(15-9)17-12-8-6-10(16-12)14-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene?
2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene has a molecular weight of 318.58 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(5-ethylsulfanylthiophen-2-yl)sulfanylthiophene is sourced from PubChem (CID 2022119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).