10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene

C12H10OS2 — CID 134289950

IUPAC10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene
SMILESCC1CCc2sc3c(oc4ccsc43)c21
InChIInChI=1S/C12H10OS2/c1-6-2-3-8-9(6)10-12(15-8)11-7(13-10)4-5-14-11/h4-6H,2-3H2,1H3
InChIKeyHBJNXMWYUMOZPW-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.76
Rot. Bonds

About 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene

10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene (PubChem CID 134289950) has the molecular formula C12H10OS2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene.

Molecular Properties

Compound Name10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene
PubChem CID134289950
Molecular FormulaC12H10OS2
Molecular Weight234.34 g/mol
Exact Mass234.02
IUPAC Name10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene
SMILESCC1CCc2sc3c(oc4ccsc43)c21
InChIInChI=1S/C12H10OS2/c1-6-2-3-8-9(6)10-12(15-8)11-7(13-10)4-5-14-11/h4-6H,2-3H2,1H3
InChIKeyHBJNXMWYUMOZPW-UHFFFAOYSA-N
XLogP4.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene?
The IUPAC name of 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene (CID 134289950) is 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene.
What is the SMILES notation for 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene?
The canonical SMILES for 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene is CC1CCc2sc3c(oc4ccsc43)c21.
What is the InChIKey of 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene?
The InChIKey is HBJNXMWYUMOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS2/c1-6-2-3-8-9(6)10-12(15-8)11-7(13-10)4-5-14-11/h4-6H,2-3H2,1H3.
What are the key properties of 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene?
10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene has a molecular weight of 234.34 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-oxa-3,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13)-tetraene is sourced from PubChem (CID 134289950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).