S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine

C15H15NOS — CID 145463664

IUPACS-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
SMILESCc1ccccc1-c1cc2c(c(SN)c1)OCC2
InChIInChI=1S/C15H15NOS/c1-10-4-2-3-5-13(10)12-8-11-6-7-17-15(11)14(9-12)18-16/h2-5,8-9H,6-7,16H2,1H3
InChIKeyHQGMIMWZGFWXAZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.56
Rot. Bonds2

About S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine

S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine (PubChem CID 145463664) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
PubChem CID145463664
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameS-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
SMILESCc1ccccc1-c1cc2c(c(SN)c1)OCC2
InChIInChI=1S/C15H15NOS/c1-10-4-2-3-5-13(10)12-8-11-6-7-17-15(11)14(9-12)18-16/h2-5,8-9H,6-7,16H2,1H3
InChIKeyHQGMIMWZGFWXAZ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 172323109
3-[5-(Trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide
CID 172603190
2-[(4-Fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 64192403
2-[(2-Fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 64194294
2-[(3-Fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 64194861
S-[5-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
CID 145463619
S-[5-(3-fluoro-5-methoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
CID 145463646
S-[5-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
CID 145463686
S-[5-(3-fluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine
CID 145463688
5-(2-Methylphenyl)-2,3-dihydro-1-benzofuran
CID 4131970
5-(3-Methylphenyl)-2,3-dihydro-1-benzofuran
CID 4131971
2-Methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 20222556

Frequently Asked Questions

What is the IUPAC name of S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine?
The IUPAC name of S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine (CID 145463664) is S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine.
What is the SMILES notation for S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine?
The canonical SMILES for S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine is Cc1ccccc1-c1cc2c(c(SN)c1)OCC2.
What is the InChIKey of S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine?
The InChIKey is HQGMIMWZGFWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-4-2-3-5-13(10)12-8-11-6-7-17-15(11)14(9-12)18-16/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine?
S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine has a molecular weight of 257.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]thiohydroxylamine is sourced from PubChem (CID 145463664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).