4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C10H9NS2 — CID 138667135

IUPAC4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c([nH]c3sc(C)cc32)s1
InChIInChI=1S/C10H9NS2/c1-5-3-7-8-4-6(2)13-10(8)11-9(7)12-5/h3-4,11H,1-2H3
InChIKeyFVWFBOUTQBUIRH-UHFFFAOYSA-N
MW207.32 g/mol
LogP4.06
Rot. Bonds

About 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 138667135) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID138667135
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c([nH]c3sc(C)cc32)s1
InChIInChI=1S/C10H9NS2/c1-5-3-7-8-4-6(2)13-10(8)11-9(7)12-5/h3-4,11H,1-2H3
InChIKeyFVWFBOUTQBUIRH-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 138667135) is 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is Cc1cc2c([nH]c3sc(C)cc32)s1.
What is the InChIKey of 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is FVWFBOUTQBUIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-5-3-7-8-4-6(2)13-10(8)11-9(7)12-5/h3-4,11H,1-2H3.
What are the key properties of 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 207.32 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 138667135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).