1-tert-butylimino-1-methyliminothiolane

C9H20N2S — CID 171606924

IUPAC1-tert-butylimino-1-methyliminothiolane
SMILESCN=S1(=NC(C)(C)C)CCCC1
InChIInChI=1S/C9H20N2S/c1-9(2,3)11-12(10-4)7-5-6-8-12/h5-8H2,1-4H3
InChIKeyHBBWIDIOHBXPID-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.73
Rot. Bonds

About 1-tert-butylimino-1-methyliminothiolane

1-tert-butylimino-1-methyliminothiolane (PubChem CID 171606924) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-tert-butylimino-1-methyliminothiolane.

Molecular Properties

Compound Name1-tert-butylimino-1-methyliminothiolane
PubChem CID171606924
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-tert-butylimino-1-methyliminothiolane
SMILESCN=S1(=NC(C)(C)C)CCCC1
InChIInChI=1S/C9H20N2S/c1-9(2,3)11-12(10-4)7-5-6-8-12/h5-8H2,1-4H3
InChIKeyHBBWIDIOHBXPID-UHFFFAOYSA-N
XLogP2.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimino-1-methyliminothiolane?
The IUPAC name of 1-tert-butylimino-1-methyliminothiolane (CID 171606924) is 1-tert-butylimino-1-methyliminothiolane.
What is the SMILES notation for 1-tert-butylimino-1-methyliminothiolane?
The canonical SMILES for 1-tert-butylimino-1-methyliminothiolane is CN=S1(=NC(C)(C)C)CCCC1.
What is the InChIKey of 1-tert-butylimino-1-methyliminothiolane?
The InChIKey is HBBWIDIOHBXPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(2,3)11-12(10-4)7-5-6-8-12/h5-8H2,1-4H3.
What are the key properties of 1-tert-butylimino-1-methyliminothiolane?
1-tert-butylimino-1-methyliminothiolane has a molecular weight of 188.34 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimino-1-methyliminothiolane is sourced from PubChem (CID 171606924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).