aziridine;oxirane;thiirane

C6H13NOS — CID 157489289

IUPACaziridine;oxirane;thiirane
SMILESC1CN1.C1CO1.C1CS1
InChIInChI=1S/C2H5N.C2H4O.C2H4S/c3*1-2-3-1/h3H,1-2H2;2*1-2H2
InChIKeyBXBSNJSPJXBCJH-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.34
Rot. Bonds

About aziridine;oxirane;thiirane

aziridine;oxirane;thiirane (PubChem CID 157489289) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is aziridine;oxirane;thiirane.

Molecular Properties

Compound Nameaziridine;oxirane;thiirane
PubChem CID157489289
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameaziridine;oxirane;thiirane
SMILESC1CN1.C1CO1.C1CS1
InChIInChI=1S/C2H5N.C2H4O.C2H4S/c3*1-2-3-1/h3H,1-2H2;2*1-2H2
InChIKeyBXBSNJSPJXBCJH-UHFFFAOYSA-N
XLogP0.34
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 aziridine;oxirane;thiirane?
The IUPAC name of aziridine;oxirane;thiirane (CID 157489289) is aziridine;oxirane;thiirane.
What is the SMILES notation for aziridine;oxirane;thiirane?
The canonical SMILES for aziridine;oxirane;thiirane is C1CN1.C1CO1.C1CS1.
What is the InChIKey of aziridine;oxirane;thiirane?
The InChIKey is BXBSNJSPJXBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.C2H4O.C2H4S/c3*1-2-3-1/h3H,1-2H2;2*1-2H2.
What are the key properties of aziridine;oxirane;thiirane?
aziridine;oxirane;thiirane has a molecular weight of 147.24 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;oxirane;thiirane is sourced from PubChem (CID 157489289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).