3-amino-4-(4-iodophenyl)sulfanylphenol

C12H10INOS — CID 91879548

IUPAC3-amino-4-(4-iodophenyl)sulfanylphenol
SMILESNc1cc(O)ccc1Sc1ccc(I)cc1
InChIInChI=1S/C12H10INOS/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2
InChIKeyARQPBLYFXLFHRZ-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.73
Rot. Bonds2

About 3-amino-4-(4-iodophenyl)sulfanylphenol

3-amino-4-(4-iodophenyl)sulfanylphenol (PubChem CID 91879548) has the molecular formula C12H10INOS and a molecular weight of 343.19 g/mol. Its IUPAC name is 3-amino-4-(4-iodophenyl)sulfanylphenol.

Molecular Properties

Compound Name3-amino-4-(4-iodophenyl)sulfanylphenol
PubChem CID91879548
Molecular FormulaC12H10INOS
Molecular Weight343.19 g/mol
Exact Mass342.95
IUPAC Name3-amino-4-(4-iodophenyl)sulfanylphenol
SMILESNc1cc(O)ccc1Sc1ccc(I)cc1
InChIInChI=1S/C12H10INOS/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2
InChIKeyARQPBLYFXLFHRZ-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-hydroxyphenyl)sulfanylphenol
CID 67040301
5-ethyl-2-(4-iodophenyl)sulfanylaniline
CID 91878146
4-(4-iodophenyl)sulfanylphenol
CID 91879526
methyl 4-(2-amino-4-hydroxyphenyl)sulfanylbenzoate
CID 91879833
2-(4-tert-butylphenyl)sulfanyl-5-iodoaniline
CID 66081770
2-amino-4-(4-iodophenyl)sulfanylphenol
CID 70534793
ethyl 3-amino-4-(4-iodophenyl)sulfanylbenzoate
CID 91878089
4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808566

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-iodophenyl)sulfanylphenol?
The IUPAC name of 3-amino-4-(4-iodophenyl)sulfanylphenol (CID 91879548) is 3-amino-4-(4-iodophenyl)sulfanylphenol.
What is the SMILES notation for 3-amino-4-(4-iodophenyl)sulfanylphenol?
The canonical SMILES for 3-amino-4-(4-iodophenyl)sulfanylphenol is Nc1cc(O)ccc1Sc1ccc(I)cc1.
What is the InChIKey of 3-amino-4-(4-iodophenyl)sulfanylphenol?
The InChIKey is ARQPBLYFXLFHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INOS/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2.
What are the key properties of 3-amino-4-(4-iodophenyl)sulfanylphenol?
3-amino-4-(4-iodophenyl)sulfanylphenol has a molecular weight of 343.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-iodophenyl)sulfanylphenol is sourced from PubChem (CID 91879548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).