6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole

C14H18ClNS — CID 117180808

IUPAC6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
SMILESCCn1c(CSC(C)C)cc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNS/c1-4-16-13(9-17-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyIVMUJTAMFDYDOV-UHFFFAOYSA-N
MW267.82 g/mol
LogP4.96
Rot. Bonds4

About 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole

6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole (PubChem CID 117180808) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
PubChem CID117180808
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
SMILESCCn1c(CSC(C)C)cc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNS/c1-4-16-13(9-17-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyIVMUJTAMFDYDOV-UHFFFAOYSA-N
XLogP4.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
CID 117180802
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
6-chloro-2-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117179426
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
5-chloro-2-(propan-2-ylsulfanylmethyl)aniline
CID 62100769
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
CID 117176891
2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole?
The IUPAC name of 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole (CID 117180808) is 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole.
What is the SMILES notation for 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole?
The canonical SMILES for 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole is CCn1c(CSC(C)C)cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole?
The InChIKey is IVMUJTAMFDYDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNS/c1-4-16-13(9-17-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole?
6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole has a molecular weight of 267.82 g/mol, XLogP of 4.96, 4 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-(propan-2-ylsulfanylmethyl)indole is sourced from PubChem (CID 117180808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).