5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene

C10H12N2S2 — CID 10846791

IUPAC5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene
SMILESCC1=CSC2=C3SC=C(C)N3CCN12
InChIInChI=1S/C10H12N2S2/c1-7-5-13-9-10-12(4-3-11(7)9)8(2)6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyLFWHFMPIMTUZPZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.95
Rot. Bonds

About 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene

5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene (PubChem CID 10846791) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene.

Molecular Properties

Compound Name5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene
PubChem CID10846791
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene
SMILESCC1=CSC2=C3SC=C(C)N3CCN12
InChIInChI=1S/C10H12N2S2/c1-7-5-13-9-10-12(4-3-11(7)9)8(2)6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyLFWHFMPIMTUZPZ-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene?
The IUPAC name of 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene (CID 10846791) is 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene.
What is the SMILES notation for 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene?
The canonical SMILES for 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene is CC1=CSC2=C3SC=C(C)N3CCN12.
What is the InChIKey of 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene?
The InChIKey is LFWHFMPIMTUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-5-13-9-10-12(4-3-11(7)9)8(2)6-14-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene?
5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene has a molecular weight of 224.35 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene is sourced from PubChem (CID 10846791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).