2-methyl-1-sulfanylazetidine

C4H9NS — CID 146506057

IUPAC2-methyl-1-sulfanylazetidine
SMILESCC1CCN1S
InChIInChI=1S/C4H9NS/c1-4-2-3-5(4)6/h4,6H,2-3H2,1H3
InChIKeyGTXKNWJHEDORHL-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.93
Rot. Bonds

About 2-methyl-1-sulfanylazetidine

2-methyl-1-sulfanylazetidine (PubChem CID 146506057) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 2-methyl-1-sulfanylazetidine.

Molecular Properties

Compound Name2-methyl-1-sulfanylazetidine
PubChem CID146506057
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name2-methyl-1-sulfanylazetidine
SMILESCC1CCN1S
InChIInChI=1S/C4H9NS/c1-4-2-3-5(4)6/h4,6H,2-3H2,1H3
InChIKeyGTXKNWJHEDORHL-UHFFFAOYSA-N
XLogP0.93
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-sulfanylazetidine?
The IUPAC name of 2-methyl-1-sulfanylazetidine (CID 146506057) is 2-methyl-1-sulfanylazetidine.
What is the SMILES notation for 2-methyl-1-sulfanylazetidine?
The canonical SMILES for 2-methyl-1-sulfanylazetidine is CC1CCN1S.
What is the InChIKey of 2-methyl-1-sulfanylazetidine?
The InChIKey is GTXKNWJHEDORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-4-2-3-5(4)6/h4,6H,2-3H2,1H3.
What are the key properties of 2-methyl-1-sulfanylazetidine?
2-methyl-1-sulfanylazetidine has a molecular weight of 103.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-sulfanylazetidine is sourced from PubChem (CID 146506057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).