[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite

C10H9BrINS — CID 139538070

IUPAC[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite
SMILESCc1cc2c(CBr)cccc2n1SI
InChIInChI=1S/C10H9BrINS/c1-7-5-9-8(6-11)3-2-4-10(9)13(7)14-12/h2-5H,6H2,1H3
InChIKeyYWPQDOIGKQTBEI-UHFFFAOYSA-N
MW382.06 g/mol
LogP4.69
Rot. Bonds2

About [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite

[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite (PubChem CID 139538070) has the molecular formula C10H9BrINS and a molecular weight of 382.06 g/mol. Its IUPAC name is [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite.

Molecular Properties

Compound Name[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite
PubChem CID139538070
Molecular FormulaC10H9BrINS
Molecular Weight382.06 g/mol
Exact Mass380.87
IUPAC Name[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite
SMILESCc1cc2c(CBr)cccc2n1SI
InChIInChI=1S/C10H9BrINS/c1-7-5-9-8(6-11)3-2-4-10(9)13(7)14-12/h2-5H,6H2,1H3
InChIKeyYWPQDOIGKQTBEI-UHFFFAOYSA-N
XLogP4.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite?
The IUPAC name of [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite (CID 139538070) is [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite.
What is the SMILES notation for [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite?
The canonical SMILES for [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite is Cc1cc2c(CBr)cccc2n1SI.
What is the InChIKey of [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite?
The InChIKey is YWPQDOIGKQTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINS/c1-7-5-9-8(6-11)3-2-4-10(9)13(7)14-12/h2-5H,6H2,1H3.
What are the key properties of [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite?
[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite has a molecular weight of 382.06 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite is sourced from PubChem (CID 139538070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).