11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

C12H7NS2 — CID 163979264

IUPAC11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESc1ccc2c(c1)[nH]c1c3sccc3sc21
InChIInChI=1S/C12H7NS2/c1-2-4-8-7(3-1)11-10(13-8)12-9(15-11)5-6-14-12/h1-6,13H
InChIKeySWYCXQDTOZNUEC-UHFFFAOYSA-N
MW229.33 g/mol
LogP4.60
Rot. Bonds

About 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (PubChem CID 163979264) has the molecular formula C12H7NS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.

Molecular Properties

Compound Name11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
PubChem CID163979264
Molecular FormulaC12H7NS2
Molecular Weight229.33 g/mol
Exact Mass229.00
IUPAC Name11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESc1ccc2c(c1)[nH]c1c3sccc3sc21
InChIInChI=1S/C12H7NS2/c1-2-4-8-7(3-1)11-10(13-8)12-9(15-11)5-6-14-12/h1-6,13H
InChIKeySWYCXQDTOZNUEC-UHFFFAOYSA-N
XLogP4.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene with MolForge

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Related Compounds

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CID 137421875
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9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;ethane;methanethiol
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Frequently Asked Questions

What is the IUPAC name of 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The IUPAC name of 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (CID 163979264) is 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.
What is the SMILES notation for 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The canonical SMILES for 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is c1ccc2c(c1)[nH]c1c3sccc3sc21.
What is the InChIKey of 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The InChIKey is SWYCXQDTOZNUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NS2/c1-2-4-8-7(3-1)11-10(13-8)12-9(15-11)5-6-14-12/h1-6,13H.
What are the key properties of 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene has a molecular weight of 229.33 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is sourced from PubChem (CID 163979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).