2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C36H38S8 — CID 15187094

IUPAC2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(SCCCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C36H38S8/c1-3-5-7-9-23-37-35-21-19-33(43-35)31-17-15-29(41-31)27-13-11-25(39-27)26-12-14-28(40-26)30-16-18-32(42-30)34-20-22-36(44-34)38-24-10-8-6-4-2/h11-22H,3-10,23-24H2,1-2H3
InChIKeyBDRJHTXWFVTFCT-UHFFFAOYSA-N
MW727.24 g/mol
LogP15.74
Rot. Bonds17

About 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 15187094) has the molecular formula C36H38S8 and a molecular weight of 727.24 g/mol. Its IUPAC name is 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID15187094
Molecular FormulaC36H38S8
Molecular Weight727.24 g/mol
Exact Mass726.07
IUPAC Name2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(SCCCCCC)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C36H38S8/c1-3-5-7-9-23-37-35-21-19-33(43-35)31-17-15-29(41-31)27-13-11-25(39-27)26-12-14-28(40-26)30-16-18-32(42-30)34-20-22-36(44-34)38-24-10-8-6-4-2/h11-22H,3-10,23-24H2,1-2H3
InChIKeyBDRJHTXWFVTFCT-UHFFFAOYSA-N
XLogP15.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.24
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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2-decylsulfanyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5-decylsulfanylthiophen-2-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]thiophene
CID 10440027
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2-(4-carboxy-2-pyridinyl)-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
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1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole
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2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 15187094) is 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCSc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(SCCCCCC)s6)s5)s4)s3)s2)s1.
What is the InChIKey of 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is BDRJHTXWFVTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38S8/c1-3-5-7-9-23-37-35-21-19-33(43-35)31-17-15-29(41-31)27-13-11-25(39-27)26-12-14-28(40-26)30-16-18-32(42-30)34-20-22-36(44-34)38-24-10-8-6-4-2/h11-22H,3-10,23-24H2,1-2H3.
What are the key properties of 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 727.24 g/mol, XLogP of 15.74, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 15187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).