4-methylsulfanylphenanthridine

C14H11NS — CID 56651512

IUPAC4-methylsulfanylphenanthridine
SMILESCSc1cccc2c1ncc1ccccc12
InChIInChI=1S/C14H11NS/c1-16-13-8-4-7-12-11-6-3-2-5-10(11)9-15-14(12)13/h2-9H,1H3
InChIKeyVTDVWCJKFKZLJT-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.11
Rot. Bonds1

About 4-methylsulfanylphenanthridine

4-methylsulfanylphenanthridine (PubChem CID 56651512) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-methylsulfanylphenanthridine.

Molecular Properties

Compound Name4-methylsulfanylphenanthridine
PubChem CID56651512
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name4-methylsulfanylphenanthridine
SMILESCSc1cccc2c1ncc1ccccc12
InChIInChI=1S/C14H11NS/c1-16-13-8-4-7-12-11-6-3-2-5-10(11)9-15-14(12)13/h2-9H,1H3
InChIKeyVTDVWCJKFKZLJT-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-8-methylsulfanylquinoline
CID 119092882
tri(phenanthridin-4-yloxy)alumane
CID 24943485
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
(5-methylsulfanylisoquinolin-3-yl)oxyboronic acid
CID 175983006
phenanthridine
CID 9189
1,4-dimethylphenanthridine
CID 122403892
acetic acid;1-methylsulfanylphenazine
CID 175441164
phenanthridine;platinum(2+)
CID 23616726
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
CID 11217636
4-isothiocyanato-8-methylsulfanylquinoline
CID 135004494
9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
CID 167697505

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylphenanthridine?
The IUPAC name of 4-methylsulfanylphenanthridine (CID 56651512) is 4-methylsulfanylphenanthridine.
What is the SMILES notation for 4-methylsulfanylphenanthridine?
The canonical SMILES for 4-methylsulfanylphenanthridine is CSc1cccc2c1ncc1ccccc12.
What is the InChIKey of 4-methylsulfanylphenanthridine?
The InChIKey is VTDVWCJKFKZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-16-13-8-4-7-12-11-6-3-2-5-10(11)9-15-14(12)13/h2-9H,1H3.
What are the key properties of 4-methylsulfanylphenanthridine?
4-methylsulfanylphenanthridine has a molecular weight of 225.32 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylphenanthridine is sourced from PubChem (CID 56651512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).