6-bromo-3-(ethylsulfanylmethyl)-1H-indole

C11H12BrNS — CID 57138871

IUPAC6-bromo-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyUDRKLNSGDGGWDO-UHFFFAOYSA-N
MW270.19 g/mol
LogP4.18
Rot. Bonds3

About 6-bromo-3-(ethylsulfanylmethyl)-1H-indole

6-bromo-3-(ethylsulfanylmethyl)-1H-indole (PubChem CID 57138871) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 6-bromo-3-(ethylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-3-(ethylsulfanylmethyl)-1H-indole
PubChem CID57138871
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name6-bromo-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyUDRKLNSGDGGWDO-UHFFFAOYSA-N
XLogP4.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
CID 88853409
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene
CID 117219861
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
6-bromo-1H-indol-3-ol;octanoic acid
CID 174613949
2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
CID 154958366
2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 11189002

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The IUPAC name of 6-bromo-3-(ethylsulfanylmethyl)-1H-indole (CID 57138871) is 6-bromo-3-(ethylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 6-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The canonical SMILES for 6-bromo-3-(ethylsulfanylmethyl)-1H-indole is CCSCc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The InChIKey is UDRKLNSGDGGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,2,7H2,1H3.
What are the key properties of 6-bromo-3-(ethylsulfanylmethyl)-1H-indole?
6-bromo-3-(ethylsulfanylmethyl)-1H-indole has a molecular weight of 270.19 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(ethylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 57138871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).