3-butylsulfanyl-9-ethylcarbazole

C18H21NS — CID 71231849

IUPAC3-butylsulfanyl-9-ethylcarbazole
SMILESCCCCSc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H21NS/c1-3-5-12-20-14-10-11-18-16(13-14)15-8-6-7-9-17(15)19(18)4-2/h6-11,13H,3-5,12H2,1-2H3
InChIKeyZYXUZWVIPHIZPU-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.71
Rot. Bonds5

About 3-butylsulfanyl-9-ethylcarbazole

3-butylsulfanyl-9-ethylcarbazole (PubChem CID 71231849) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-butylsulfanyl-9-ethylcarbazole.

Molecular Properties

Compound Name3-butylsulfanyl-9-ethylcarbazole
PubChem CID71231849
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name3-butylsulfanyl-9-ethylcarbazole
SMILESCCCCSc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H21NS/c1-3-5-12-20-14-10-11-18-16(13-14)15-8-6-7-9-17(15)19(18)4-2/h6-11,13H,3-5,12H2,1-2H3
InChIKeyZYXUZWVIPHIZPU-UHFFFAOYSA-N
XLogP5.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.71
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

2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
3-butan-2-yl-9-ethylcarbazole
CID 23520664
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
CID 4211528
9H-carbazole;9-ethylcarbazole
CID 159391034
9-ethyl-2-methylcarbazole
CID 19788789
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-9-ethylcarbazole?
The IUPAC name of 3-butylsulfanyl-9-ethylcarbazole (CID 71231849) is 3-butylsulfanyl-9-ethylcarbazole.
What is the SMILES notation for 3-butylsulfanyl-9-ethylcarbazole?
The canonical SMILES for 3-butylsulfanyl-9-ethylcarbazole is CCCCSc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 3-butylsulfanyl-9-ethylcarbazole?
The InChIKey is ZYXUZWVIPHIZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-5-12-20-14-10-11-18-16(13-14)15-8-6-7-9-17(15)19(18)4-2/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 3-butylsulfanyl-9-ethylcarbazole?
3-butylsulfanyl-9-ethylcarbazole has a molecular weight of 283.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-9-ethylcarbazole is sourced from PubChem (CID 71231849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).