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

C11H12BrNS — CID 117182045

IUPAC7-bromo-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-9(8)4-3-5-10(11)12/h3-6,13H,2,7H2,1H3
InChIKeyDVKWAWYRHGWLHT-UHFFFAOYSA-N
MW270.19 g/mol
LogP4.18
Rot. Bonds3

About 7-bromo-3-(ethylsulfanylmethyl)-1H-indole

7-bromo-3-(ethylsulfanylmethyl)-1H-indole (PubChem CID 117182045) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 7-bromo-3-(ethylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(ethylsulfanylmethyl)-1H-indole
PubChem CID117182045
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name7-bromo-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-9(8)4-3-5-10(11)12/h3-6,13H,2,7H2,1H3
InChIKeyDVKWAWYRHGWLHT-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

6-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 57138871
3-(7-bromo-1H-indol-3-yl)propanenitrile
CID 76846698
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
[(2S)-3-(7-bromo-1H-indol-3-yl)-1-ethoxy-1-oxopropan-2-yl]azanium bromide
CID 160805144
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
3-amino-4-(7-bromo-1H-indol-3-yl)but-1-en-2-ol
CID 145142405
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-bromo-3-tert-butyl-1H-indole
CID 106985255
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The IUPAC name of 7-bromo-3-(ethylsulfanylmethyl)-1H-indole (CID 117182045) is 7-bromo-3-(ethylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The canonical SMILES for 7-bromo-3-(ethylsulfanylmethyl)-1H-indole is CCSCc1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(ethylsulfanylmethyl)-1H-indole?
The InChIKey is DVKWAWYRHGWLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-14-7-8-6-13-11-9(8)4-3-5-10(11)12/h3-6,13H,2,7H2,1H3.
What are the key properties of 7-bromo-3-(ethylsulfanylmethyl)-1H-indole?
7-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 7-bromo-3-(ethylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 117182045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).