1-methyliminothiolane

C5H11NS — CID 59860524

IUPAC1-methyliminothiolane
SMILESCN=S1CCCC1
InChIInChI=1S/C5H11NS/c1-6-7-4-2-3-5-7/h2-5H2,1H3
InChIKeyJEGWYMNLEIHXGN-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.21
Rot. Bonds

About 1-methyliminothiolane

1-methyliminothiolane (PubChem CID 59860524) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-methyliminothiolane.

Molecular Properties

Compound Name1-methyliminothiolane
PubChem CID59860524
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-methyliminothiolane
SMILESCN=S1CCCC1
InChIInChI=1S/C5H11NS/c1-6-7-4-2-3-5-7/h2-5H2,1H3
InChIKeyJEGWYMNLEIHXGN-UHFFFAOYSA-N
XLogP1.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyliminothiolane?
The IUPAC name of 1-methyliminothiolane (CID 59860524) is 1-methyliminothiolane.
What is the SMILES notation for 1-methyliminothiolane?
The canonical SMILES for 1-methyliminothiolane is CN=S1CCCC1.
What is the InChIKey of 1-methyliminothiolane?
The InChIKey is JEGWYMNLEIHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-7-4-2-3-5-7/h2-5H2,1H3.
What are the key properties of 1-methyliminothiolane?
1-methyliminothiolane has a molecular weight of 117.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyliminothiolane is sourced from PubChem (CID 59860524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).