ethane;methyl N-methylethanimidothioate

C6H15NS — CID 143539727

IUPACethane;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.CC
InChIInChI=1S/C4H9NS.C2H6/c1-4(5-2)6-3;1-2/h1-3H3;1-2H3/b5-4+;
InChIKeyAAFDBDOWANBNRW-FXRZFVDSSA-N
MW133.26 g/mol
LogP2.42
Rot. Bonds

About ethane;methyl N-methylethanimidothioate

ethane;methyl N-methylethanimidothioate (PubChem CID 143539727) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is ethane;methyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethane;methyl N-methylethanimidothioate
PubChem CID143539727
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Nameethane;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.CC
InChIInChI=1S/C4H9NS.C2H6/c1-4(5-2)6-3;1-2/h1-3H3;1-2H3/b5-4+;
InChIKeyAAFDBDOWANBNRW-FXRZFVDSSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 52.42
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-methylethanimidothioate?
The IUPAC name of ethane;methyl N-methylethanimidothioate (CID 143539727) is ethane;methyl N-methylethanimidothioate.
What is the SMILES notation for ethane;methyl N-methylethanimidothioate?
The canonical SMILES for ethane;methyl N-methylethanimidothioate is C/N=C(\C)SC.CC.
What is the InChIKey of ethane;methyl N-methylethanimidothioate?
The InChIKey is AAFDBDOWANBNRW-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H9NS.C2H6/c1-4(5-2)6-3;1-2/h1-3H3;1-2H3/b5-4+;.
What are the key properties of ethane;methyl N-methylethanimidothioate?
ethane;methyl N-methylethanimidothioate has a molecular weight of 133.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-methylethanimidothioate is sourced from PubChem (CID 143539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).