ethane;ethyl N-ethenyl-2-methylpropanimidothioate

C10H21NS — CID 165132615

IUPACethane;ethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SCC)C(C)C.CC
InChIInChI=1S/C8H15NS.C2H6/c1-5-9-8(7(3)4)10-6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3/b9-8-;
InChIKeyVIASSZRWUIUGDQ-UOQXYWCXSA-N
MW187.35 g/mol
LogP3.96
Rot. Bonds3

About ethane;ethyl N-ethenyl-2-methylpropanimidothioate

ethane;ethyl N-ethenyl-2-methylpropanimidothioate (PubChem CID 165132615) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;ethyl N-ethenyl-2-methylpropanimidothioate.

Molecular Properties

Compound Nameethane;ethyl N-ethenyl-2-methylpropanimidothioate
PubChem CID165132615
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;ethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SCC)C(C)C.CC
InChIInChI=1S/C8H15NS.C2H6/c1-5-9-8(7(3)4)10-6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3/b9-8-;
InChIKeyVIASSZRWUIUGDQ-UOQXYWCXSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.96
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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Related Compounds

ethenyl N-ethyl-2-methylpropanimidothioate
CID 88884472
methyl N-ethenylpropanimidothioate
CID 123143732
ethenyl N-ethenyl-2-methylpropanimidothioate
CID 123500897
methyl N-ethenyl-2-methylbutanimidothioate
CID 123808234
ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
CID 123835011
methyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 123916407
ethenyl N-ethenyl-5-methylhexanimidothioate
CID 126713419
2-Butyl-1,1-dimethyl-1,3-thiazole
CID 130224807
ethenyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 130469876
ethenyl N-ethenylpropanimidothioate
CID 134340395
methyl N-ethenyl-2-methylpropanimidothioate
CID 138501837
ethane;ethyl N-ethenylethanimidothioate
CID 143602053

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-ethenyl-2-methylpropanimidothioate?
The IUPAC name of ethane;ethyl N-ethenyl-2-methylpropanimidothioate (CID 165132615) is ethane;ethyl N-ethenyl-2-methylpropanimidothioate.
What is the SMILES notation for ethane;ethyl N-ethenyl-2-methylpropanimidothioate?
The canonical SMILES for ethane;ethyl N-ethenyl-2-methylpropanimidothioate is C=C/N=C(\SCC)C(C)C.CC.
What is the InChIKey of ethane;ethyl N-ethenyl-2-methylpropanimidothioate?
The InChIKey is VIASSZRWUIUGDQ-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-5-9-8(7(3)4)10-6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3/b9-8-;.
What are the key properties of ethane;ethyl N-ethenyl-2-methylpropanimidothioate?
ethane;ethyl N-ethenyl-2-methylpropanimidothioate has a molecular weight of 187.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-ethenyl-2-methylpropanimidothioate is sourced from PubChem (CID 165132615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).