5,6-bis(2-methoxyphenyl)tetrathiine

C16H14O2S4 — CID 101437216

IUPAC5,6-bis(2-methoxyphenyl)tetrathiine
SMILESCOc1ccccc1-c1ssssc1-c1ccccc1OC
InChIInChI=1S/C16H14O2S4/c1-17-13-9-5-3-7-11(13)15-16(20-22-21-19-15)12-8-4-6-10-14(12)18-2/h3-10H,1-2H3
InChIKeyULDHJUIXLRNXKY-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.41
Rot. Bonds4

About 5,6-bis(2-methoxyphenyl)tetrathiine

5,6-bis(2-methoxyphenyl)tetrathiine (PubChem CID 101437216) has the molecular formula C16H14O2S4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5,6-bis(2-methoxyphenyl)tetrathiine.

Molecular Properties

Compound Name5,6-bis(2-methoxyphenyl)tetrathiine
PubChem CID101437216
Molecular FormulaC16H14O2S4
Molecular Weight366.55 g/mol
Exact Mass365.99
IUPAC Name5,6-bis(2-methoxyphenyl)tetrathiine
SMILESCOc1ccccc1-c1ssssc1-c1ccccc1OC
InChIInChI=1S/C16H14O2S4/c1-17-13-9-5-3-7-11(13)15-16(20-22-21-19-15)12-8-4-6-10-14(12)18-2/h3-10H,1-2H3
InChIKeyULDHJUIXLRNXKY-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

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azane;1,2-dimethoxybenzene
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1,2-dimethoxybenzene;dihydrochloride
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2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
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CID 10968300
CID 10968300
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
[5-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 170459018
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
1-iodo-2,3,5,6-tetrakis(2-methoxyphenyl)-4-methylbenzene
CID 145152049
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
CID 175345189
3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene
CID 70951315

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-methoxyphenyl)tetrathiine?
The IUPAC name of 5,6-bis(2-methoxyphenyl)tetrathiine (CID 101437216) is 5,6-bis(2-methoxyphenyl)tetrathiine.
What is the SMILES notation for 5,6-bis(2-methoxyphenyl)tetrathiine?
The canonical SMILES for 5,6-bis(2-methoxyphenyl)tetrathiine is COc1ccccc1-c1ssssc1-c1ccccc1OC.
What is the InChIKey of 5,6-bis(2-methoxyphenyl)tetrathiine?
The InChIKey is ULDHJUIXLRNXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S4/c1-17-13-9-5-3-7-11(13)15-16(20-22-21-19-15)12-8-4-6-10-14(12)18-2/h3-10H,1-2H3.
What are the key properties of 5,6-bis(2-methoxyphenyl)tetrathiine?
5,6-bis(2-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(2-methoxyphenyl)tetrathiine is sourced from PubChem (CID 101437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).