5-tert-butylthiolan-2-imine

C8H15NS — CID 19799650

IUPAC5-tert-butylthiolan-2-imine
SMILES[H]/N=C1\CCC(C(C)(C)C)S1
InChIInChI=1S/C8H15NS/c1-8(2,3)6-4-5-7(9)10-6/h6,9H,4-5H2,1-3H3/b9-7+
InChIKeyFKKGRXFJXTVNEN-VQHVLOKHSA-N
MW157.28 g/mol
LogP2.91
Rot. Bonds

About 5-tert-butylthiolan-2-imine

5-tert-butylthiolan-2-imine (PubChem CID 19799650) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-tert-butylthiolan-2-imine.

Molecular Properties

Compound Name5-tert-butylthiolan-2-imine
PubChem CID19799650
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-tert-butylthiolan-2-imine
SMILES[H]/N=C1\CCC(C(C)(C)C)S1
InChIInChI=1S/C8H15NS/c1-8(2,3)6-4-5-7(9)10-6/h6,9H,4-5H2,1-3H3/b9-7+
InChIKeyFKKGRXFJXTVNEN-VQHVLOKHSA-N
XLogP2.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylthiolan-2-imine?
The IUPAC name of 5-tert-butylthiolan-2-imine (CID 19799650) is 5-tert-butylthiolan-2-imine.
What is the SMILES notation for 5-tert-butylthiolan-2-imine?
The canonical SMILES for 5-tert-butylthiolan-2-imine is [H]/N=C1\CCC(C(C)(C)C)S1.
What is the InChIKey of 5-tert-butylthiolan-2-imine?
The InChIKey is FKKGRXFJXTVNEN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2,3)6-4-5-7(9)10-6/h6,9H,4-5H2,1-3H3/b9-7+.
What are the key properties of 5-tert-butylthiolan-2-imine?
5-tert-butylthiolan-2-imine has a molecular weight of 157.28 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylthiolan-2-imine is sourced from PubChem (CID 19799650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).