7-ethylsulfanylbenzo[c]acridine

C19H15NS — CID 154133463

IUPAC7-ethylsulfanylbenzo[c]acridine
SMILESCCSc1c2ccccc2nc2c1ccc1ccccc12
InChIInChI=1S/C19H15NS/c1-2-21-19-15-9-5-6-10-17(15)20-18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3
InChIKeyKYKSAIBOOFNVFD-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.65
Rot. Bonds2

About 7-ethylsulfanylbenzo[c]acridine

7-ethylsulfanylbenzo[c]acridine (PubChem CID 154133463) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 7-ethylsulfanylbenzo[c]acridine.

Molecular Properties

Compound Name7-ethylsulfanylbenzo[c]acridine
PubChem CID154133463
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name7-ethylsulfanylbenzo[c]acridine
SMILESCCSc1c2ccccc2nc2c1ccc1ccccc12
InChIInChI=1S/C19H15NS/c1-2-21-19-15-9-5-6-10-17(15)20-18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3
InChIKeyKYKSAIBOOFNVFD-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-bis(ethylsulfanyl)acridine
CID 13048101
7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine
CID 135144346
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
2-ethylsulfanylphenanthrene
CID 54274557
3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine
CID 3015682
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
9-(4-chlorobutylsulfanyl)acridine
CID 11208848
1-ethylsulfanylacridin-9-amine
CID 13048104
ethylsulfanylbenzene;dihydrochloride
CID 18353835
6-bromobenzo[c]phenanthridine
CID 151634252

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanylbenzo[c]acridine?
The IUPAC name of 7-ethylsulfanylbenzo[c]acridine (CID 154133463) is 7-ethylsulfanylbenzo[c]acridine.
What is the SMILES notation for 7-ethylsulfanylbenzo[c]acridine?
The canonical SMILES for 7-ethylsulfanylbenzo[c]acridine is CCSc1c2ccccc2nc2c1ccc1ccccc12.
What is the InChIKey of 7-ethylsulfanylbenzo[c]acridine?
The InChIKey is KYKSAIBOOFNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-2-21-19-15-9-5-6-10-17(15)20-18-14-8-4-3-7-13(14)11-12-16(18)19/h3-12H,2H2,1H3.
What are the key properties of 7-ethylsulfanylbenzo[c]acridine?
7-ethylsulfanylbenzo[c]acridine has a molecular weight of 289.40 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanylbenzo[c]acridine is sourced from PubChem (CID 154133463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).