1-(1-benzothiophen-2-yl)aziridine

C10H9NS — CID 14339463

IUPAC1-(1-benzothiophen-2-yl)aziridine
SMILESc1ccc2sc(N3CC3)cc2c1
InChIInChI=1S/C10H9NS/c1-2-4-9-8(3-1)7-10(12-9)11-5-6-11/h1-4,7H,5-6H2
InChIKeyYCCFATCOQNLZOA-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.72
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)aziridine

1-(1-benzothiophen-2-yl)aziridine (PubChem CID 14339463) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)aziridine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)aziridine
PubChem CID14339463
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name1-(1-benzothiophen-2-yl)aziridine
SMILESc1ccc2sc(N3CC3)cc2c1
InChIInChI=1S/C10H9NS/c1-2-4-9-8(3-1)7-10(12-9)11-5-6-11/h1-4,7H,5-6H2
InChIKeyYCCFATCOQNLZOA-UHFFFAOYSA-N
XLogP2.72
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)aziridine?
The IUPAC name of 1-(1-benzothiophen-2-yl)aziridine (CID 14339463) is 1-(1-benzothiophen-2-yl)aziridine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)aziridine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)aziridine is c1ccc2sc(N3CC3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)aziridine?
The InChIKey is YCCFATCOQNLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-4-9-8(3-1)7-10(12-9)11-5-6-11/h1-4,7H,5-6H2.
What are the key properties of 1-(1-benzothiophen-2-yl)aziridine?
1-(1-benzothiophen-2-yl)aziridine has a molecular weight of 175.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)aziridine is sourced from PubChem (CID 14339463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).