ethane;ethene;methyl N-ethenylmethanimidothioate

C8H17NS — CID 143375318

IUPACethane;ethene;methyl N-ethenylmethanimidothioate
SMILESC=C.C=C/N=C/SC.CC
InChIInChI=1S/C4H7NS.C2H6.C2H4/c1-3-5-4-6-2;2*1-2/h3-4H,1H2,2H3;1-2H3;1-2H2/b5-4+;;
InChIKeyBBXOHHRWTSGORJ-SFKRKKMESA-N
MW159.30 g/mol
LogP3.35
Rot. Bonds2

About ethane;ethene;methyl N-ethenylmethanimidothioate

ethane;ethene;methyl N-ethenylmethanimidothioate (PubChem CID 143375318) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;ethene;methyl N-ethenylmethanimidothioate.

Molecular Properties

Compound Nameethane;ethene;methyl N-ethenylmethanimidothioate
PubChem CID143375318
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;ethene;methyl N-ethenylmethanimidothioate
SMILESC=C.C=C/N=C/SC.CC
InChIInChI=1S/C4H7NS.C2H6.C2H4/c1-3-5-4-6-2;2*1-2/h3-4H,1H2,2H3;1-2H3;1-2H2/b5-4+;;
InChIKeyBBXOHHRWTSGORJ-SFKRKKMESA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 53.35
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 ethane;ethene;methyl N-ethenylmethanimidothioate?
The IUPAC name of ethane;ethene;methyl N-ethenylmethanimidothioate (CID 143375318) is ethane;ethene;methyl N-ethenylmethanimidothioate.
What is the SMILES notation for ethane;ethene;methyl N-ethenylmethanimidothioate?
The canonical SMILES for ethane;ethene;methyl N-ethenylmethanimidothioate is C=C.C=C/N=C/SC.CC.
What is the InChIKey of ethane;ethene;methyl N-ethenylmethanimidothioate?
The InChIKey is BBXOHHRWTSGORJ-SFKRKKMESA-N. The full InChI is InChI=1S/C4H7NS.C2H6.C2H4/c1-3-5-4-6-2;2*1-2/h3-4H,1H2,2H3;1-2H3;1-2H2/b5-4+;;.
What are the key properties of ethane;ethene;methyl N-ethenylmethanimidothioate?
ethane;ethene;methyl N-ethenylmethanimidothioate has a molecular weight of 159.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methyl N-ethenylmethanimidothioate is sourced from PubChem (CID 143375318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).