9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole

C22H24ClNS — CID 71145961

IUPAC9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole
SMILESCCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(SC)cccc21
InChIInChI=1S/C22H24ClNS/c1-3-16-6-4-7-18-19-8-5-9-20(25-2)22(19)24(21(16)18)14-15-10-12-17(23)13-11-15/h5,8-13,16H,3-4,6-7,14H2,1-2H3
InChIKeyFUJNUDTWFVZMAJ-UHFFFAOYSA-N
MW369.96 g/mol
LogP6.89
Rot. Bonds4

About 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole

9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 71145961) has the molecular formula C22H24ClNS and a molecular weight of 369.96 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole
PubChem CID71145961
Molecular FormulaC22H24ClNS
Molecular Weight369.96 g/mol
Exact Mass369.13
IUPAC Name9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole
SMILESCCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(SC)cccc21
InChIInChI=1S/C22H24ClNS/c1-3-16-6-4-7-18-19-8-5-9-20(25-2)22(19)24(21(16)18)14-15-10-12-17(23)13-11-15/h5,8-13,16H,3-4,6-7,14H2,1-2H3
InChIKeyFUJNUDTWFVZMAJ-UHFFFAOYSA-N
XLogP6.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.96
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole (CID 71145961) is 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole is CCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(SC)cccc21.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is FUJNUDTWFVZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNS/c1-3-16-6-4-7-18-19-8-5-9-20(25-2)22(19)24(21(16)18)14-15-10-12-17(23)13-11-15/h5,8-13,16H,3-4,6-7,14H2,1-2H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole?
9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 369.96 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 71145961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).