1-tert-butyl-3-propan-2-ylideneazetidine-2-thione

C10H17NS — CID 15246522

IUPAC1-tert-butyl-3-propan-2-ylideneazetidine-2-thione
SMILESCC(C)=C1CN(C(C)(C)C)C1=S
InChIInChI=1S/C10H17NS/c1-7(2)8-6-11(9(8)12)10(3,4)5/h6H2,1-5H3
InChIKeyGEOTUFQUYAASBV-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.76
Rot. Bonds

About 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione

1-tert-butyl-3-propan-2-ylideneazetidine-2-thione (PubChem CID 15246522) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-ylideneazetidine-2-thione
PubChem CID15246522
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-tert-butyl-3-propan-2-ylideneazetidine-2-thione
SMILESCC(C)=C1CN(C(C)(C)C)C1=S
InChIInChI=1S/C10H17NS/c1-7(2)8-6-11(9(8)12)10(3,4)5/h6H2,1-5H3
InChIKeyGEOTUFQUYAASBV-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione?
The IUPAC name of 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione (CID 15246522) is 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione.
What is the SMILES notation for 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione?
The canonical SMILES for 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione is CC(C)=C1CN(C(C)(C)C)C1=S.
What is the InChIKey of 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione?
The InChIKey is GEOTUFQUYAASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)8-6-11(9(8)12)10(3,4)5/h6H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione?
1-tert-butyl-3-propan-2-ylideneazetidine-2-thione has a molecular weight of 183.32 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-ylideneazetidine-2-thione is sourced from PubChem (CID 15246522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).