1-methyl-1,10-phenanthroline-2-thione

C13H10N2S — CID 45118686

IUPAC1-methyl-1,10-phenanthroline-2-thione
SMILESCn1c(=S)ccc2ccc3cccnc3c21
InChIInChI=1S/C13H10N2S/c1-15-11(16)7-6-10-5-4-9-3-2-8-14-12(9)13(10)15/h2-8H,1H3
InChIKeyPWSNSSKOUNIKPW-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.46
Rot. Bonds

About 1-methyl-1,10-phenanthroline-2-thione

1-methyl-1,10-phenanthroline-2-thione (PubChem CID 45118686) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methyl-1,10-phenanthroline-2-thione.

Molecular Properties

Compound Name1-methyl-1,10-phenanthroline-2-thione
PubChem CID45118686
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name1-methyl-1,10-phenanthroline-2-thione
SMILESCn1c(=S)ccc2ccc3cccnc3c21
InChIInChI=1S/C13H10N2S/c1-15-11(16)7-6-10-5-4-9-3-2-8-14-12(9)13(10)15/h2-8H,1H3
InChIKeyPWSNSSKOUNIKPW-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
methanol;quinolin-8-ol
CID 161490698
16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
CID 123476841
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,10-phenanthroline-2-thione?
The IUPAC name of 1-methyl-1,10-phenanthroline-2-thione (CID 45118686) is 1-methyl-1,10-phenanthroline-2-thione.
What is the SMILES notation for 1-methyl-1,10-phenanthroline-2-thione?
The canonical SMILES for 1-methyl-1,10-phenanthroline-2-thione is Cn1c(=S)ccc2ccc3cccnc3c21.
What is the InChIKey of 1-methyl-1,10-phenanthroline-2-thione?
The InChIKey is PWSNSSKOUNIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-15-11(16)7-6-10-5-4-9-3-2-8-14-12(9)13(10)15/h2-8H,1H3.
What are the key properties of 1-methyl-1,10-phenanthroline-2-thione?
1-methyl-1,10-phenanthroline-2-thione has a molecular weight of 226.30 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,10-phenanthroline-2-thione is sourced from PubChem (CID 45118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).