10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

C14H12OS2 — CID 134090714

IUPAC10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESc1ccc2c(c1)SCOCSc1ccccc1-2
InChIInChI=1S/C14H12OS2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)17-10-15-9-16-13/h1-8H,9-10H2
InChIKeyMJVTVGXCQJQTSL-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.48
Rot. Bonds

About 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene

10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (PubChem CID 134090714) has the molecular formula C14H12OS2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
PubChem CID134090714
Molecular FormulaC14H12OS2
Molecular Weight260.38 g/mol
Exact Mass260.03
IUPAC Name10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
SMILESc1ccc2c(c1)SCOCSc1ccccc1-2
InChIInChI=1S/C14H12OS2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)17-10-15-9-16-13/h1-8H,9-10H2
InChIKeyMJVTVGXCQJQTSL-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene with MolForge

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Related Compounds

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CID 10986413
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CID 91008977
(3S)-3-methyl-2,3-dihydrothiochromen-4-one
CID 51656328
4-ethenylidene-2,3-dihydrothiochromene
CID 143818370
(3S,3'S)-3'-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 92860308
(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine
CID 152773087
8-thiatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-12-one
CID 154103054
(NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
CID 5400234
4-thiophen-2-yl-2H-thiochromene
CID 23273277
4-methylidene-1,3-benzoxathiine
CID 122417043
5,8,21,24-tetraoxa-2,11,18,27-tetrathiatricyclo[26.4.1.112,17]tetratriaconta-1(32),12,14,16,28,30-hexaene-33,34-dione
CID 15646298
(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine
CID 63969242

Frequently Asked Questions

What is the IUPAC name of 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The IUPAC name of 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene (CID 134090714) is 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene.
What is the SMILES notation for 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The canonical SMILES for 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is c1ccc2c(c1)SCOCSc1ccccc1-2.
What is the InChIKey of 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
The InChIKey is MJVTVGXCQJQTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)17-10-15-9-16-13/h1-8H,9-10H2.
What are the key properties of 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene?
10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene has a molecular weight of 260.38 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-8,12-dithiatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene is sourced from PubChem (CID 134090714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).