ethane;ethyl N-ethenylpropanimidothioate

C9H19NS — CID 165130713

IUPACethane;ethyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SCC.CC
InChIInChI=1S/C7H13NS.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,2,4,6H2,1,3H3;1-2H3/b8-7+;
InChIKeyZDTDNLFIEGJOSY-USRGLUTNSA-N
MW173.32 g/mol
LogP3.72
Rot. Bonds3

About ethane;ethyl N-ethenylpropanimidothioate

ethane;ethyl N-ethenylpropanimidothioate (PubChem CID 165130713) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;ethyl N-ethenylpropanimidothioate.

Molecular Properties

Compound Nameethane;ethyl N-ethenylpropanimidothioate
PubChem CID165130713
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethane;ethyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SCC.CC
InChIInChI=1S/C7H13NS.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,2,4,6H2,1,3H3;1-2H3/b8-7+;
InChIKeyZDTDNLFIEGJOSY-USRGLUTNSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 53.72
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

CID 89822333
CID 89822333
CID 91438940
CID 91438940
CID 123143732
CID 123143732
CID 123347663
CID 123347663
CID 123500897
CID 123500897
CID 123808234
CID 123808234
CID 123916407
CID 123916407
CID 130224807
CID 130224807
CID 130469876
CID 130469876
CID 134340395
CID 134340395
CID 138501837
CID 138501837
CID 143602053
CID 143602053

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-ethenylpropanimidothioate?
The IUPAC name of ethane;ethyl N-ethenylpropanimidothioate (CID 165130713) is ethane;ethyl N-ethenylpropanimidothioate.
What is the SMILES notation for ethane;ethyl N-ethenylpropanimidothioate?
The canonical SMILES for ethane;ethyl N-ethenylpropanimidothioate is C=C/N=C(\CC)SCC.CC.
What is the InChIKey of ethane;ethyl N-ethenylpropanimidothioate?
The InChIKey is ZDTDNLFIEGJOSY-USRGLUTNSA-N. The full InChI is InChI=1S/C7H13NS.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,2,4,6H2,1,3H3;1-2H3/b8-7+;.
What are the key properties of ethane;ethyl N-ethenylpropanimidothioate?
ethane;ethyl N-ethenylpropanimidothioate has a molecular weight of 173.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-ethenylpropanimidothioate is sourced from PubChem (CID 165130713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).