ethenyl (Z)-N-ethenylpent-2-enimidothioate

C9H13NS — CID 143891118

IUPACethenyl (Z)-N-ethenylpent-2-enimidothioate
SMILESC=C/N=C(/C=C\CC)SC=C
InChIInChI=1S/C9H13NS/c1-4-7-8-9(10-5-2)11-6-3/h5-8H,2-4H2,1H3/b8-7-,10-9-
InChIKeySVGYXIMCEVEOAD-QRLRYFCNSA-N
MW167.28 g/mol
LogP3.37
Rot. Bonds4

About ethenyl (Z)-N-ethenylpent-2-enimidothioate

ethenyl (Z)-N-ethenylpent-2-enimidothioate (PubChem CID 143891118) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is ethenyl (Z)-N-ethenylpent-2-enimidothioate.

Molecular Properties

Compound Nameethenyl (Z)-N-ethenylpent-2-enimidothioate
PubChem CID143891118
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Nameethenyl (Z)-N-ethenylpent-2-enimidothioate
SMILESC=C/N=C(/C=C\CC)SC=C
InChIInChI=1S/C9H13NS/c1-4-7-8-9(10-5-2)11-6-3/h5-8H,2-4H2,1H3/b8-7-,10-9-
InChIKeySVGYXIMCEVEOAD-QRLRYFCNSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.37
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

6-ethylsulfanyl-7-fluoro-4H-azepine
CID 138628081
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
(2E)-2-butylidene-3-methyl-1,4-thiazine
CID 123512371
4-Methyl-4-methylsulfanylazepine
CID 138721240
methyl N-[(Z)-but-1-enyl]ethanimidothioate
CID 139305459
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
5-methylsulfanyl-4H-azepine
CID 142217342
2,6-dimethyl-6H-1,3-thiazine;ethane
CID 142292464
4,4-Dimethyl-7-methylsulfanylazepine
CID 143885496
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
CID 143891680
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713

Frequently Asked Questions

What is the IUPAC name of ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The IUPAC name of ethenyl (Z)-N-ethenylpent-2-enimidothioate (CID 143891118) is ethenyl (Z)-N-ethenylpent-2-enimidothioate.
What is the SMILES notation for ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The canonical SMILES for ethenyl (Z)-N-ethenylpent-2-enimidothioate is C=C/N=C(/C=C\CC)SC=C.
What is the InChIKey of ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The InChIKey is SVGYXIMCEVEOAD-QRLRYFCNSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-7-8-9(10-5-2)11-6-3/h5-8H,2-4H2,1H3/b8-7-,10-9-.
What are the key properties of ethenyl (Z)-N-ethenylpent-2-enimidothioate?
ethenyl (Z)-N-ethenylpent-2-enimidothioate has a molecular weight of 167.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (Z)-N-ethenylpent-2-enimidothioate is sourced from PubChem (CID 143891118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).