17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene

C12H8N4S — CID 10562020

IUPAC17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene
SMILESc1ccc2c3c(cnc2c1)-n1cnnc1CS3
InChIInChI=1S/C12H8N4S/c1-2-4-9-8(3-1)12-10(5-13-9)16-7-14-15-11(16)6-17-12/h1-5,7H,6H2
InChIKeyXRHVLHVQVXFCDD-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.42
Rot. Bonds

About 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene

17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene (PubChem CID 10562020) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene.

Molecular Properties

Compound Name17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene
PubChem CID10562020
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene
SMILESc1ccc2c3c(cnc2c1)-n1cnnc1CS3
InChIInChI=1S/C12H8N4S/c1-2-4-9-8(3-1)12-10(5-13-9)16-7-14-15-11(16)6-17-12/h1-5,7H,6H2
InChIKeyXRHVLHVQVXFCDD-UHFFFAOYSA-N
XLogP2.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene?
The IUPAC name of 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene (CID 10562020) is 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene.
What is the SMILES notation for 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene?
The canonical SMILES for 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene is c1ccc2c3c(cnc2c1)-n1cnnc1CS3.
What is the InChIKey of 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene?
The InChIKey is XRHVLHVQVXFCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-2-4-9-8(3-1)12-10(5-13-9)16-7-14-15-11(16)6-17-12/h1-5,7H,6H2.
What are the key properties of 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene?
17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene has a molecular weight of 240.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene is sourced from PubChem (CID 10562020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).