2-bromo-3-chloro-5-iodobenzenethiol

C6H3BrClIS — CID 162785409

IUPAC2-bromo-3-chloro-5-iodobenzenethiol
SMILESSc1cc(I)cc(Cl)c1Br
InChIInChI=1S/C6H3BrClIS/c7-6-4(8)1-3(9)2-5(6)10/h1-2,10H
InChIKeyKVNSIVFRFAOLGK-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.00
Rot. Bonds

About 2-bromo-3-chloro-5-iodobenzenethiol

2-bromo-3-chloro-5-iodobenzenethiol (PubChem CID 162785409) has the molecular formula C6H3BrClIS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-iodobenzenethiol.

Molecular Properties

Compound Name2-bromo-3-chloro-5-iodobenzenethiol
PubChem CID162785409
Molecular FormulaC6H3BrClIS
Molecular Weight349.42 g/mol
Exact Mass347.79
IUPAC Name2-bromo-3-chloro-5-iodobenzenethiol
SMILESSc1cc(I)cc(Cl)c1Br
InChIInChI=1S/C6H3BrClIS/c7-6-4(8)1-3(9)2-5(6)10/h1-2,10H
InChIKeyKVNSIVFRFAOLGK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-5-iodobenzenethiol
CID 107608211
2-bromo-6-chloro-4-iodophenol
CID 102508152
3-bromo-5-iodo-2-nitrobenzenethiol
CID 171001603
2-bromo-1,3,5-triiodobenzene
CID 71168194
4-bromo-2,5-dichlorobenzenethiol
CID 171004418
5-bromo-2,4-dichlorobenzenethiol
CID 171004591
3-chloro-5-iodobenzene-1,2-diamine
CID 91678168
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
CID 86057486
1,2,5-tribromo-3,4-dichlorobenzene
CID 86016218
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
2-bromo-5-iodo-3-(trifluoromethyl)aniline
CID 118994035
2,3-dibromo-4-chlorothiophene
CID 14835174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-iodobenzenethiol?
The IUPAC name of 2-bromo-3-chloro-5-iodobenzenethiol (CID 162785409) is 2-bromo-3-chloro-5-iodobenzenethiol.
What is the SMILES notation for 2-bromo-3-chloro-5-iodobenzenethiol?
The canonical SMILES for 2-bromo-3-chloro-5-iodobenzenethiol is Sc1cc(I)cc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-5-iodobenzenethiol?
The InChIKey is KVNSIVFRFAOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClIS/c7-6-4(8)1-3(9)2-5(6)10/h1-2,10H.
What are the key properties of 2-bromo-3-chloro-5-iodobenzenethiol?
2-bromo-3-chloro-5-iodobenzenethiol has a molecular weight of 349.42 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-iodobenzenethiol is sourced from PubChem (CID 162785409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).