ethenyl (E)-N-ethenylhex-2-enimidothioate

C10H15NS — CID 143891681

IUPACethenyl (E)-N-ethenylhex-2-enimidothioate
SMILESC=C/N=C(/C=C/CCC)SC=C
InChIInChI=1S/C10H15NS/c1-4-7-8-9-10(11-5-2)12-6-3/h5-6,8-9H,2-4,7H2,1H3/b9-8+,11-10-
InChIKeyGLYJBWSAIVCVJS-OCBXPSTGSA-N
MW181.30 g/mol
LogP3.76
Rot. Bonds5

About ethenyl (E)-N-ethenylhex-2-enimidothioate

ethenyl (E)-N-ethenylhex-2-enimidothioate (PubChem CID 143891681) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethenyl (E)-N-ethenylhex-2-enimidothioate.

Molecular Properties

Compound Nameethenyl (E)-N-ethenylhex-2-enimidothioate
PubChem CID143891681
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethenyl (E)-N-ethenylhex-2-enimidothioate
SMILESC=C/N=C(/C=C/CCC)SC=C
InChIInChI=1S/C10H15NS/c1-4-7-8-9-10(11-5-2)12-6-3/h5-6,8-9H,2-4,7H2,1H3/b9-8+,11-10-
InChIKeyGLYJBWSAIVCVJS-OCBXPSTGSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.76
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

(E)-2-methylidenehept-3-en-1-ol
CID 173423370
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
(E)-6-methylidenenon-4-ene
CID 14364497
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
(3E,5Z)-4-methylnona-1,3,5-trien-3-amine
CID 126687303
(2E,4Z)-octa-2,4-dien-3-ol
CID 144538239
docosakis(hex-2-enoic acid);phosphane
CID 174896095
S-ethyl (E)-hex-2-enethioate
CID 11400929

Frequently Asked Questions

What is the IUPAC name of ethenyl (E)-N-ethenylhex-2-enimidothioate?
The IUPAC name of ethenyl (E)-N-ethenylhex-2-enimidothioate (CID 143891681) is ethenyl (E)-N-ethenylhex-2-enimidothioate.
What is the SMILES notation for ethenyl (E)-N-ethenylhex-2-enimidothioate?
The canonical SMILES for ethenyl (E)-N-ethenylhex-2-enimidothioate is C=C/N=C(/C=C/CCC)SC=C.
What is the InChIKey of ethenyl (E)-N-ethenylhex-2-enimidothioate?
The InChIKey is GLYJBWSAIVCVJS-OCBXPSTGSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-7-8-9-10(11-5-2)12-6-3/h5-6,8-9H,2-4,7H2,1H3/b9-8+,11-10-.
What are the key properties of ethenyl (E)-N-ethenylhex-2-enimidothioate?
ethenyl (E)-N-ethenylhex-2-enimidothioate has a molecular weight of 181.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (E)-N-ethenylhex-2-enimidothioate is sourced from PubChem (CID 143891681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).