ethane;methyl N-ethenylpentanimidothioate

C10H21NS — CID 143755070

IUPACethane;methyl N-ethenylpentanimidothioate
SMILESC=C/N=C(/CCCC)SC.CC
InChIInChI=1S/C8H15NS.C2H6/c1-4-6-7-8(10-3)9-5-2;1-2/h5H,2,4,6-7H2,1,3H3;1-2H3/b9-8-;
InChIKeyLIWXHYREEZZGMV-UOQXYWCXSA-N
MW187.35 g/mol
LogP4.11
Rot. Bonds4

About ethane;methyl N-ethenylpentanimidothioate

ethane;methyl N-ethenylpentanimidothioate (PubChem CID 143755070) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;methyl N-ethenylpentanimidothioate.

Molecular Properties

Compound Nameethane;methyl N-ethenylpentanimidothioate
PubChem CID143755070
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;methyl N-ethenylpentanimidothioate
SMILESC=C/N=C(/CCCC)SC.CC
InChIInChI=1S/C8H15NS.C2H6/c1-4-6-7-8(10-3)9-5-2;1-2/h5H,2,4,6-7H2,1,3H3;1-2H3/b9-8-;
InChIKeyLIWXHYREEZZGMV-UOQXYWCXSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 54.11
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-ethenylpentanimidothioate?
The IUPAC name of ethane;methyl N-ethenylpentanimidothioate (CID 143755070) is ethane;methyl N-ethenylpentanimidothioate.
What is the SMILES notation for ethane;methyl N-ethenylpentanimidothioate?
The canonical SMILES for ethane;methyl N-ethenylpentanimidothioate is C=C/N=C(/CCCC)SC.CC.
What is the InChIKey of ethane;methyl N-ethenylpentanimidothioate?
The InChIKey is LIWXHYREEZZGMV-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-4-6-7-8(10-3)9-5-2;1-2/h5H,2,4,6-7H2,1,3H3;1-2H3/b9-8-;.
What are the key properties of ethane;methyl N-ethenylpentanimidothioate?
ethane;methyl N-ethenylpentanimidothioate has a molecular weight of 187.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-ethenylpentanimidothioate is sourced from PubChem (CID 143755070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).