O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine

C9H8ClNOS — CID 117194425

IUPACO-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine
SMILESNOCc1cc2c(Cl)cccc2s1
InChIInChI=1S/C9H8ClNOS/c10-8-2-1-3-9-7(8)4-6(13-9)5-12-11/h1-4H,5,11H2
InChIKeyWLXNQUATPGTHSV-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.94
Rot. Bonds2

About O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine

O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine (PubChem CID 117194425) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine
PubChem CID117194425
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC NameO-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine
SMILESNOCc1cc2c(Cl)cccc2s1
InChIInChI=1S/C9H8ClNOS/c10-8-2-1-3-9-7(8)4-6(13-9)5-12-11/h1-4H,5,11H2
InChIKeyWLXNQUATPGTHSV-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-benzothiophene-2-carboximidamide;trihydrate;hydrochloride
CID 19007611
2-(2-chloroethyl)-1-benzothiophen-4-amine
CID 175376475
methyl 2-amino-2-(4-chloro-1-benzothiophen-2-yl)acetate
CID 115071897
2-[(4-chlorophenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172977
5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115110039
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117197472
[2-[(3-methoxyphenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117172724
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
4-(4-chloro-1-benzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42907369
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043
5-(4-chloro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115110030
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420

Frequently Asked Questions

What is the IUPAC name of O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine (CID 117194425) is O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine is NOCc1cc2c(Cl)cccc2s1.
What is the InChIKey of O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine?
The InChIKey is WLXNQUATPGTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c10-8-2-1-3-9-7(8)4-6(13-9)5-12-11/h1-4H,5,11H2.
What are the key properties of O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine?
O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine has a molecular weight of 213.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117194425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).