8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene

C10H9NS — CID 89076730

IUPAC8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene
SMILESCc1sc(C)c2c1C=C=CC=N2
InChIInChI=1S/C10H9NS/c1-7-9-5-3-4-6-11-10(9)8(2)12-7/h4-6H,1-2H3
InChIKeyQOKQHNNAJCMPIK-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.25
Rot. Bonds

About 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene

8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene (PubChem CID 89076730) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene.

Molecular Properties

Compound Name8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene
PubChem CID89076730
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene
SMILESCc1sc(C)c2c1C=C=CC=N2
InChIInChI=1S/C10H9NS/c1-7-9-5-3-4-6-11-10(9)8(2)12-7/h4-6H,1-2H3
InChIKeyQOKQHNNAJCMPIK-UHFFFAOYSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene?
The IUPAC name of 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene (CID 89076730) is 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene.
What is the SMILES notation for 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene?
The canonical SMILES for 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene is Cc1sc(C)c2c1C=C=CC=N2.
What is the InChIKey of 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene?
The InChIKey is QOKQHNNAJCMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-7-9-5-3-4-6-11-10(9)8(2)12-7/h4-6H,1-2H3.
What are the key properties of 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene?
8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene has a molecular weight of 175.26 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-9-thia-2-azabicyclo[5.3.0]deca-1(10),2,4,5,7-pentaene is sourced from PubChem (CID 89076730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).