4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete

C7H13NS — CID 167189842

IUPAC4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete
SMILESCSC(C)(C)C1=CCN1
InChIInChI=1S/C7H13NS/c1-7(2,9-3)6-4-5-8-6/h4,8H,5H2,1-3H3
InChIKeyLNLGFMGFLRITOF-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds2

About 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete

4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete (PubChem CID 167189842) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete.

Molecular Properties

Compound Name4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete
PubChem CID167189842
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete
SMILESCSC(C)(C)C1=CCN1
InChIInChI=1S/C7H13NS/c1-7(2,9-3)6-4-5-8-6/h4,8H,5H2,1-3H3
InChIKeyLNLGFMGFLRITOF-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete?
The IUPAC name of 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete (CID 167189842) is 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete.
What is the SMILES notation for 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete?
The canonical SMILES for 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete is CSC(C)(C)C1=CCN1.
What is the InChIKey of 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete?
The InChIKey is LNLGFMGFLRITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2,9-3)6-4-5-8-6/h4,8H,5H2,1-3H3.
What are the key properties of 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete?
4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete has a molecular weight of 143.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylpropan-2-yl)-1,2-dihydroazete is sourced from PubChem (CID 167189842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).