2-amino-3-chloro-5-iodobenzenethiol

C6H5ClINS — CID 107608211

IUPAC2-amino-3-chloro-5-iodobenzenethiol
SMILESNc1c(S)cc(I)cc1Cl
InChIInChI=1S/C6H5ClINS/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H,9H2
InChIKeyWPJSNKKEOIZDJL-UHFFFAOYSA-N
MW285.54 g/mol
LogP2.82
Rot. Bonds

About 2-amino-3-chloro-5-iodobenzenethiol

2-amino-3-chloro-5-iodobenzenethiol (PubChem CID 107608211) has the molecular formula C6H5ClINS and a molecular weight of 285.54 g/mol. Its IUPAC name is 2-amino-3-chloro-5-iodobenzenethiol.

Molecular Properties

Compound Name2-amino-3-chloro-5-iodobenzenethiol
PubChem CID107608211
Molecular FormulaC6H5ClINS
Molecular Weight285.54 g/mol
Exact Mass284.89
IUPAC Name2-amino-3-chloro-5-iodobenzenethiol
SMILESNc1c(S)cc(I)cc1Cl
InChIInChI=1S/C6H5ClINS/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H,9H2
InChIKeyWPJSNKKEOIZDJL-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-iodobenzene-1,2-diamine
CID 91678168
2-bromo-3-chloro-5-iodobenzenethiol
CID 162785409
2,4-diaminobenzene-1,3,5-trithiol
CID 130017911
2,6-dichloro-4-methylaniline;ethane
CID 143233725
2,3-diamino-5-bromobenzenethiol
CID 143121859
2,5-diaminobenzene-1,3-dithiol;dihydrochloride
CID 23039800
1-[2-(aminomethyl)-6-chloro-4-iodophenyl]propan-1-one
CID 174689259
ethyl 2,6-dichloro-4-iodobenzoate
CID 51341876
8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
CID 107607874
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
6-chlorobenzene-1,2,4-triamine
CID 21330853
8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
CID 107607566

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-iodobenzenethiol?
The IUPAC name of 2-amino-3-chloro-5-iodobenzenethiol (CID 107608211) is 2-amino-3-chloro-5-iodobenzenethiol.
What is the SMILES notation for 2-amino-3-chloro-5-iodobenzenethiol?
The canonical SMILES for 2-amino-3-chloro-5-iodobenzenethiol is Nc1c(S)cc(I)cc1Cl.
What is the InChIKey of 2-amino-3-chloro-5-iodobenzenethiol?
The InChIKey is WPJSNKKEOIZDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClINS/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H,9H2.
What are the key properties of 2-amino-3-chloro-5-iodobenzenethiol?
2-amino-3-chloro-5-iodobenzenethiol has a molecular weight of 285.54 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-5-iodobenzenethiol is sourced from PubChem (CID 107608211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).