6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole

C12H14ClNS — CID 117180802

IUPAC6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
SMILESCCn1c(CSC)cc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNS/c1-3-14-11(8-15-2)6-9-4-5-10(13)7-12(9)14/h4-7H,3,8H2,1-2H3
InChIKeyPIIKPZAGMPVMEY-UHFFFAOYSA-N
MW239.77 g/mol
LogP4.18
Rot. Bonds3

About 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole

6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole (PubChem CID 117180802) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
PubChem CID117180802
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
SMILESCCn1c(CSC)cc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNS/c1-3-14-11(8-15-2)6-9-4-5-10(13)7-12(9)14/h4-7H,3,8H2,1-2H3
InChIKeyPIIKPZAGMPVMEY-UHFFFAOYSA-N
XLogP4.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
CID 117180808
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628
(6-amino-1-ethylindol-2-yl)methanethiol
CID 117180857
1-ethyl-2-(sulfanylmethyl)indol-6-ol
CID 117180858
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-benzyl-6-chloro-2-methylindole
CID 121404424

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole?
The IUPAC name of 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole (CID 117180802) is 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole.
What is the SMILES notation for 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole?
The canonical SMILES for 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole is CCn1c(CSC)cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole?
The InChIKey is PIIKPZAGMPVMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-3-14-11(8-15-2)6-9-4-5-10(13)7-12(9)14/h4-7H,3,8H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole?
6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole has a molecular weight of 239.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole is sourced from PubChem (CID 117180802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).