O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine

C9H10N2OS — CID 117284726

IUPACO-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2cnsc12
InChIInChI=1S/C9H10N2OS/c10-12-5-4-7-2-1-3-8-6-11-13-9(7)8/h1-3,6H,4-5,10H2
InChIKeySGMVAUUXCCVBAW-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.73
Rot. Bonds3

About O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine

O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine (PubChem CID 117284726) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
PubChem CID117284726
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameO-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
SMILESNOCCc1cccc2cnsc12
InChIInChI=1S/C9H10N2OS/c10-12-5-4-7-2-1-3-8-6-11-13-9(7)8/h1-3,6H,4-5,10H2
InChIKeySGMVAUUXCCVBAW-UHFFFAOYSA-N
XLogP1.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine (CID 117284726) is O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine is NOCCc1cccc2cnsc12.
What is the InChIKey of O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine?
The InChIKey is SGMVAUUXCCVBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-12-5-4-7-2-1-3-8-6-11-13-9(7)8/h1-3,6H,4-5,10H2.
What are the key properties of O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine?
O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine has a molecular weight of 194.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117284726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).