11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene

C14H8S2 — CID 11042862

IUPAC11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene
SMILESC1=CSC2=C(S1)c1cccc3cccc2c13
InChIInChI=1S/C14H8S2/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)16-8-7-15-13/h1-8H
InChIKeySPLVNIPMAYBUKX-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.93
Rot. Bonds

About 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene

11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene (PubChem CID 11042862) has the molecular formula C14H8S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene.

Molecular Properties

Compound Name11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene
PubChem CID11042862
Molecular FormulaC14H8S2
Molecular Weight240.35 g/mol
Exact Mass240.01
IUPAC Name11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene
SMILESC1=CSC2=C(S1)c1cccc3cccc2c13
InChIInChI=1S/C14H8S2/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)16-8-7-15-13/h1-8H
InChIKeySPLVNIPMAYBUKX-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene?
The IUPAC name of 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene (CID 11042862) is 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene.
What is the SMILES notation for 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene?
The canonical SMILES for 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene is C1=CSC2=C(S1)c1cccc3cccc2c13.
What is the InChIKey of 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene?
The InChIKey is SPLVNIPMAYBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S2/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)16-8-7-15-13/h1-8H.
What are the key properties of 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene?
11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene has a molecular weight of 240.35 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene is sourced from PubChem (CID 11042862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).