9-(4-methylsulfanylbutyl)carbazole

C17H19NS — CID 177244640

IUPAC9-(4-methylsulfanylbutyl)carbazole
SMILESCSCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H19NS/c1-19-13-7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-5,8-11H,6-7,12-13H2,1H3
InChIKeyFSOHCFIKUOYTKR-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.94
Rot. Bonds5

About 9-(4-methylsulfanylbutyl)carbazole

9-(4-methylsulfanylbutyl)carbazole (PubChem CID 177244640) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 9-(4-methylsulfanylbutyl)carbazole.

Molecular Properties

Compound Name9-(4-methylsulfanylbutyl)carbazole
PubChem CID177244640
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name9-(4-methylsulfanylbutyl)carbazole
SMILESCSCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H19NS/c1-19-13-7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-5,8-11H,6-7,12-13H2,1H3
InChIKeyFSOHCFIKUOYTKR-UHFFFAOYSA-N
XLogP4.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole
CID 177244516
9-(6-iodohexyl)carbazole
CID 15110912
9-(6-chlorohexyl)carbazole
CID 63465812
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
9-(3-chloropropyl)carbazole
CID 14737436
9-(4-methylpentyl)carbazole
CID 153073309
3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
CID 69197277
2-methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium
CID 122186430

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylsulfanylbutyl)carbazole?
The IUPAC name of 9-(4-methylsulfanylbutyl)carbazole (CID 177244640) is 9-(4-methylsulfanylbutyl)carbazole.
What is the SMILES notation for 9-(4-methylsulfanylbutyl)carbazole?
The canonical SMILES for 9-(4-methylsulfanylbutyl)carbazole is CSCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(4-methylsulfanylbutyl)carbazole?
The InChIKey is FSOHCFIKUOYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-19-13-7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-5,8-11H,6-7,12-13H2,1H3.
What are the key properties of 9-(4-methylsulfanylbutyl)carbazole?
9-(4-methylsulfanylbutyl)carbazole has a molecular weight of 269.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylsulfanylbutyl)carbazole is sourced from PubChem (CID 177244640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).