2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene

C26H26S6 — CID 137428397

IUPAC2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene
SMILESC=C(SC(=C\C)/C(=C/C)SC)c1ccc(/C=C/C=C(\SC)c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C26H26S6/c1-6-20(27-4)21(7-2)30-18(3)22-14-13-19(31-22)10-8-11-23(28-5)25-15-16-26(32-25)24-12-9-17-29-24/h6-17H,3H2,1-2,4-5H3/b10-8+,20-6-,21-7-,23-11-
InChIKeyQNJUFPRVPOLSNG-PWNIETFESA-N
MW530.90 g/mol
LogP10.83
Rot. Bonds10

About 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene

2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene (PubChem CID 137428397) has the molecular formula C26H26S6 and a molecular weight of 530.90 g/mol. Its IUPAC name is 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene.

Molecular Properties

Compound Name2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene
PubChem CID137428397
Molecular FormulaC26H26S6
Molecular Weight530.90 g/mol
Exact Mass530.04
IUPAC Name2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene
SMILESC=C(SC(=C\C)/C(=C/C)SC)c1ccc(/C=C/C=C(\SC)c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C26H26S6/c1-6-20(27-4)21(7-2)30-18(3)22-14-13-19(31-22)10-8-11-23(28-5)25-15-16-26(32-25)24-12-9-17-29-24/h6-17H,3H2,1-2,4-5H3/b10-8+,20-6-,21-7-,23-11-
InChIKeyQNJUFPRVPOLSNG-PWNIETFESA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene with MolForge

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Related Compounds

2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2,5-bis(2-hexyldecyl)-4-[5-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]thiophen-2-yl]-1-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 143787256
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
CID 144628300
2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]-5-thiophen-2-ylthiophene-3,4-diamine
CID 145071249
3-methyl-5-thiophen-2-yl-2-[5-[(1Z)-1-(thiophen-2-ylmethylsulfanyl)buta-1,3-dienyl]thiophen-2-yl]thiophene
CID 139514807
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 130133420
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene?
The IUPAC name of 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene (CID 137428397) is 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene.
What is the SMILES notation for 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene?
The canonical SMILES for 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene is C=C(SC(=C\C)/C(=C/C)SC)c1ccc(/C=C/C=C(\SC)c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene?
The InChIKey is QNJUFPRVPOLSNG-PWNIETFESA-N. The full InChI is InChI=1S/C26H26S6/c1-6-20(27-4)21(7-2)30-18(3)22-14-13-19(31-22)10-8-11-23(28-5)25-15-16-26(32-25)24-12-9-17-29-24/h6-17H,3H2,1-2,4-5H3/b10-8+,20-6-,21-7-,23-11-.
What are the key properties of 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene?
2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene has a molecular weight of 530.90 g/mol, XLogP of 10.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2Z,4Z)-4-methylsulfanylhexa-2,4-dien-3-yl]sulfanylethenyl]-5-[(1E,3Z)-4-methylsulfanyl-4-(5-thiophen-2-ylthiophen-2-yl)buta-1,3-dienyl]thiophene is sourced from PubChem (CID 137428397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).