5-methylphenanthridine-6-thione

C14H11NS — CID 71374474

IUPAC5-methylphenanthridine-6-thione
SMILESCn1c(=S)c2ccccc2c2ccccc21
InChIInChI=1S/C14H11NS/c1-15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3
InChIKeyLPXKHRKKOPKJBM-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.06
Rot. Bonds

About 5-methylphenanthridine-6-thione

5-methylphenanthridine-6-thione (PubChem CID 71374474) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-methylphenanthridine-6-thione.

Molecular Properties

Compound Name5-methylphenanthridine-6-thione
PubChem CID71374474
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name5-methylphenanthridine-6-thione
SMILESCn1c(=S)c2ccccc2c2ccccc21
InChIInChI=1S/C14H11NS/c1-15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3
InChIKeyLPXKHRKKOPKJBM-UHFFFAOYSA-N
XLogP4.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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ethane;bis(9-methylcarbazole)
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CID 167125984
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9H-carbazole;9-methylcarbazole
CID 142567226
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
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4-methylselenopheno[2,3-b]indole
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ethane;9-methylcarbazole;9-phenylcarbazole
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2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
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5,6-dimethylindolo[2,3-b]quinolin-5-ium
CID 2750305
4-methyldithiolo[3,4-b]indole-1-thione
CID 617010

Frequently Asked Questions

What is the IUPAC name of 5-methylphenanthridine-6-thione?
The IUPAC name of 5-methylphenanthridine-6-thione (CID 71374474) is 5-methylphenanthridine-6-thione.
What is the SMILES notation for 5-methylphenanthridine-6-thione?
The canonical SMILES for 5-methylphenanthridine-6-thione is Cn1c(=S)c2ccccc2c2ccccc21.
What is the InChIKey of 5-methylphenanthridine-6-thione?
The InChIKey is LPXKHRKKOPKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3.
What are the key properties of 5-methylphenanthridine-6-thione?
5-methylphenanthridine-6-thione has a molecular weight of 225.32 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylphenanthridine-6-thione is sourced from PubChem (CID 71374474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).