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

C14H25NS — CID 143891680

IUPACethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
SMILESC=C/N=C(/C=C/CCC)SC=C.CC(C)C
InChIInChI=1S/C10H15NS.C4H10/c1-4-7-8-9-10(11-5-2)12-6-3;1-4(2)3/h5-6,8-9H,2-4,7H2,1H3;4H,1-3H3/b9-8+,11-10-;
InChIKeyHMISTBOQRVQLNL-AZYXJCANSA-N
MW239.43 g/mol
LogP5.42
Rot. Bonds5

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

ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane (PubChem CID 143891680) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane.

Molecular Properties

Compound Nameethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
PubChem CID143891680
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Nameethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
SMILESC=C/N=C(/C=C/CCC)SC=C.CC(C)C
InChIInChI=1S/C10H15NS.C4H10/c1-4-7-8-9-10(11-5-2)12-6-3;1-4(2)3/h5-6,8-9H,2-4,7H2,1H3;4H,1-3H3/b9-8+,11-10-;
InChIKeyHMISTBOQRVQLNL-AZYXJCANSA-N
XLogP5.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.42
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

ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
4,4-Dimethyl-7-methylsulfanylazepine
CID 143885496
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713
ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
CID 143892380
4-methyl-7-methylsulfanyl-4H-azepine
CID 144617439
5-[(Z)-but-2-enyl]-7-methylsulfanyl-4H-azepine
CID 143115900
ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891118
ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891681

Frequently Asked Questions

What is the IUPAC name of ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane?
The IUPAC name of ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane (CID 143891680) is ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane.
What is the SMILES notation for ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane?
The canonical SMILES for ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane is C=C/N=C(/C=C/CCC)SC=C.CC(C)C.
What is the InChIKey of ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane?
The InChIKey is HMISTBOQRVQLNL-AZYXJCANSA-N. The full InChI is InChI=1S/C10H15NS.C4H10/c1-4-7-8-9-10(11-5-2)12-6-3;1-4(2)3/h5-6,8-9H,2-4,7H2,1H3;4H,1-3H3/b9-8+,11-10-;.
What are the key properties of ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane?
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane has a molecular weight of 239.43 g/mol, XLogP of 5.42, 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;2-methylpropane is sourced from PubChem (CID 143891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).