cyclohexene;ethane;methyl N-methylethanimidothioate

C12H25NS — CID 142009889

IUPACcyclohexene;ethane;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C1=CCCCC1.CC
InChIInChI=1S/C6H10.C4H9NS.C2H6/c1-2-4-6-5-3-1;1-4(5-2)6-3;1-2/h1-2H,3-6H2;1-3H3;1-2H3/b;5-4+;
InChIKeyCYVWMUSJDHVZLB-YHVJRZKVSA-N
MW215.41 g/mol
LogP4.54
Rot. Bonds

About cyclohexene;ethane;methyl N-methylethanimidothioate

cyclohexene;ethane;methyl N-methylethanimidothioate (PubChem CID 142009889) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is cyclohexene;ethane;methyl N-methylethanimidothioate.

Molecular Properties

Compound Namecyclohexene;ethane;methyl N-methylethanimidothioate
PubChem CID142009889
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Namecyclohexene;ethane;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C1=CCCCC1.CC
InChIInChI=1S/C6H10.C4H9NS.C2H6/c1-2-4-6-5-3-1;1-4(5-2)6-3;1-2/h1-2H,3-6H2;1-3H3;1-2H3/b;5-4+;
InChIKeyCYVWMUSJDHVZLB-YHVJRZKVSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;ethane;methyl N-methylethanimidothioate?
The IUPAC name of cyclohexene;ethane;methyl N-methylethanimidothioate (CID 142009889) is cyclohexene;ethane;methyl N-methylethanimidothioate.
What is the SMILES notation for cyclohexene;ethane;methyl N-methylethanimidothioate?
The canonical SMILES for cyclohexene;ethane;methyl N-methylethanimidothioate is C/N=C(\C)SC.C1=CCCCC1.CC.
What is the InChIKey of cyclohexene;ethane;methyl N-methylethanimidothioate?
The InChIKey is CYVWMUSJDHVZLB-YHVJRZKVSA-N. The full InChI is InChI=1S/C6H10.C4H9NS.C2H6/c1-2-4-6-5-3-1;1-4(5-2)6-3;1-2/h1-2H,3-6H2;1-3H3;1-2H3/b;5-4+;.
What are the key properties of cyclohexene;ethane;methyl N-methylethanimidothioate?
cyclohexene;ethane;methyl N-methylethanimidothioate has a molecular weight of 215.41 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;ethane;methyl N-methylethanimidothioate is sourced from PubChem (CID 142009889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).