(4-hydroxy-2,5-dimethylanilino) thiohypoiodite

C8H10INOS — CID 129144288

IUPAC(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
SMILESCc1cc(NSI)c(C)cc1O
InChIInChI=1S/C8H10INOS/c1-5-4-8(11)6(2)3-7(5)10-12-9/h3-4,10-11H,1-2H3
InChIKeyWYGGOGCDDPIVER-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.42
Rot. Bonds2

About (4-hydroxy-2,5-dimethylanilino) thiohypoiodite

(4-hydroxy-2,5-dimethylanilino) thiohypoiodite (PubChem CID 129144288) has the molecular formula C8H10INOS and a molecular weight of 295.15 g/mol. Its IUPAC name is (4-hydroxy-2,5-dimethylanilino) thiohypoiodite.

Molecular Properties

Compound Name(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
PubChem CID129144288
Molecular FormulaC8H10INOS
Molecular Weight295.15 g/mol
Exact Mass294.95
IUPAC Name(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
SMILESCc1cc(NSI)c(C)cc1O
InChIInChI=1S/C8H10INOS/c1-5-4-8(11)6(2)3-7(5)10-12-9/h3-4,10-11H,1-2H3
InChIKeyWYGGOGCDDPIVER-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-2,5-dimethylanilino) thiohypoiodite;naphthalene-2,3-diol
CID 145310102
3,5-dimethoxyphenol;(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
CID 145310097
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
2,4-dimethyl-5-(methylamino)phenol
CID 22942479
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
2,5-dimethyl-4-(pentylamino)phenol
CID 106953723
2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
CID 106954007
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
CID 106831887
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,5-dimethylanilino) thiohypoiodite?
The IUPAC name of (4-hydroxy-2,5-dimethylanilino) thiohypoiodite (CID 129144288) is (4-hydroxy-2,5-dimethylanilino) thiohypoiodite.
What is the SMILES notation for (4-hydroxy-2,5-dimethylanilino) thiohypoiodite?
The canonical SMILES for (4-hydroxy-2,5-dimethylanilino) thiohypoiodite is Cc1cc(NSI)c(C)cc1O.
What is the InChIKey of (4-hydroxy-2,5-dimethylanilino) thiohypoiodite?
The InChIKey is WYGGOGCDDPIVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INOS/c1-5-4-8(11)6(2)3-7(5)10-12-9/h3-4,10-11H,1-2H3.
What are the key properties of (4-hydroxy-2,5-dimethylanilino) thiohypoiodite?
(4-hydroxy-2,5-dimethylanilino) thiohypoiodite has a molecular weight of 295.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,5-dimethylanilino) thiohypoiodite is sourced from PubChem (CID 129144288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).