5,6-bis(4-methoxyphenyl)tetrathiine

C16H14O2S4 — CID 102027357

IUPAC5,6-bis(4-methoxyphenyl)tetrathiine
SMILESCOc1ccc(-c2ssssc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14O2S4/c1-17-13-7-3-11(4-8-13)15-16(20-22-21-19-15)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKeyIPLYRQIXMIXWIY-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.41
Rot. Bonds4

About 5,6-bis(4-methoxyphenyl)tetrathiine

5,6-bis(4-methoxyphenyl)tetrathiine (PubChem CID 102027357) has the molecular formula C16H14O2S4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)tetrathiine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)tetrathiine
PubChem CID102027357
Molecular FormulaC16H14O2S4
Molecular Weight366.55 g/mol
Exact Mass365.99
IUPAC Name5,6-bis(4-methoxyphenyl)tetrathiine
SMILESCOc1ccc(-c2ssssc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14O2S4/c1-17-13-7-3-11(4-8-13)15-16(20-22-21-19-15)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKeyIPLYRQIXMIXWIY-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
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[5-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 170459034
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
5-(4-methoxyphenyl)dithiole-3-thione
CID 2194

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)tetrathiine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)tetrathiine (CID 102027357) is 5,6-bis(4-methoxyphenyl)tetrathiine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)tetrathiine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)tetrathiine is COc1ccc(-c2ssssc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)tetrathiine?
The InChIKey is IPLYRQIXMIXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S4/c1-17-13-7-3-11(4-8-13)15-16(20-22-21-19-15)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)tetrathiine?
5,6-bis(4-methoxyphenyl)tetrathiine has a molecular weight of 366.55 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)tetrathiine is sourced from PubChem (CID 102027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).