10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine

C16H18S7 — CID 161253560

IUPAC10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine
SMILESCc1sc(-c2sc(C)c3c2SCCS3)c2c1SCCSCCS2
InChIInChI=1S/C16H18S7/c1-9-11-13(20-6-4-17-3-5-18-11)15(22-9)16-14-12(10(2)23-16)19-7-8-21-14/h3-8H2,1-2H3
InChIKeyNQEOWKOFRMKOTR-UHFFFAOYSA-N
MW434.79 g/mol
LogP7.22
Rot. Bonds1

About 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine

10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine (PubChem CID 161253560) has the molecular formula C16H18S7 and a molecular weight of 434.79 g/mol. Its IUPAC name is 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine.

Molecular Properties

Compound Name10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine
PubChem CID161253560
Molecular FormulaC16H18S7
Molecular Weight434.79 g/mol
Exact Mass433.95
IUPAC Name10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine
SMILESCc1sc(-c2sc(C)c3c2SCCS3)c2c1SCCSCCS2
InChIInChI=1S/C16H18S7/c1-9-11-13(20-6-4-17-3-5-18-11)15(22-9)16-14-12(10(2)23-16)19-7-8-21-14/h3-8H2,1-2H3
InChIKeyNQEOWKOFRMKOTR-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.79
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine?
The IUPAC name of 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine (CID 161253560) is 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine.
What is the SMILES notation for 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine?
The canonical SMILES for 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine is Cc1sc(-c2sc(C)c3c2SCCS3)c2c1SCCSCCS2.
What is the InChIKey of 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine?
The InChIKey is NQEOWKOFRMKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S7/c1-9-11-13(20-6-4-17-3-5-18-11)15(22-9)16-14-12(10(2)23-16)19-7-8-21-14/h3-8H2,1-2H3.
What are the key properties of 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine?
10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine has a molecular weight of 434.79 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dithiin-5-yl)-2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trithionine is sourced from PubChem (CID 161253560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).