ethane;4-methyl-2,3-dimethylidenethiomorpholine

C9H17NS — CID 142822078

IUPACethane;4-methyl-2,3-dimethylidenethiomorpholine
SMILESC=C1SCCN(C)C1=C.CC
InChIInChI=1S/C7H11NS.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h1-2,4-5H2,3H3;1-2H3
InChIKeyVHVBINFJAOCVGJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.72
Rot. Bonds

About ethane;4-methyl-2,3-dimethylidenethiomorpholine

ethane;4-methyl-2,3-dimethylidenethiomorpholine (PubChem CID 142822078) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is ethane;4-methyl-2,3-dimethylidenethiomorpholine.

Molecular Properties

Compound Nameethane;4-methyl-2,3-dimethylidenethiomorpholine
PubChem CID142822078
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Nameethane;4-methyl-2,3-dimethylidenethiomorpholine
SMILESC=C1SCCN(C)C1=C.CC
InChIInChI=1S/C7H11NS.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h1-2,4-5H2,3H3;1-2H3
InChIKeyVHVBINFJAOCVGJ-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3-dimethylidenethiomorpholine?
The IUPAC name of ethane;4-methyl-2,3-dimethylidenethiomorpholine (CID 142822078) is ethane;4-methyl-2,3-dimethylidenethiomorpholine.
What is the SMILES notation for ethane;4-methyl-2,3-dimethylidenethiomorpholine?
The canonical SMILES for ethane;4-methyl-2,3-dimethylidenethiomorpholine is C=C1SCCN(C)C1=C.CC.
What is the InChIKey of ethane;4-methyl-2,3-dimethylidenethiomorpholine?
The InChIKey is VHVBINFJAOCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h1-2,4-5H2,3H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3-dimethylidenethiomorpholine?
ethane;4-methyl-2,3-dimethylidenethiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3-dimethylidenethiomorpholine is sourced from PubChem (CID 142822078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).