ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate

C9H16N2S — CID 144510646

IUPACethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate
SMILESC/C=C\C(=N/C)\C(=N\C)SCC
InChIInChI=1S/C9H16N2S/c1-5-7-8(10-3)9(11-4)12-6-2/h5,7H,6H2,1-4H3/b7-5-,10-8+,11-9-
InChIKeySWGYVEXACGYWDK-ZMUVTKQCSA-N
MW184.31 g/mol
LogP2.41
Rot. Bonds3

About ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate

ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate (PubChem CID 144510646) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate.

Molecular Properties

Compound Nameethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate
PubChem CID144510646
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Nameethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate
SMILESC/C=C\C(=N/C)\C(=N\C)SCC
InChIInChI=1S/C9H16N2S/c1-5-7-8(10-3)9(11-4)12-6-2/h5,7H,6H2,1-4H3/b7-5-,10-8+,11-9-
InChIKeySWGYVEXACGYWDK-ZMUVTKQCSA-N
XLogP2.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine
CID 90914787
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine
CID 139302953
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 144752184
(E)-N-tert-butyl-6-ethylsulfanylhept-3-en-2-imine
CID 155787761
(E)-6-ethylsulfanyl-N-propan-2-ylhept-3-en-2-imine
CID 165372336
(E)-6-ethylsulfanyl-N-(2-methylpropyl)hept-3-en-2-imine
CID 171739942
2-butylsulfanyl-1-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 142145332
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate?
The IUPAC name of ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate (CID 144510646) is ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate.
What is the SMILES notation for ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate?
The canonical SMILES for ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate is C/C=C\C(=N/C)\C(=N\C)SCC.
What is the InChIKey of ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate?
The InChIKey is SWGYVEXACGYWDK-ZMUVTKQCSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-7-8(10-3)9(11-4)12-6-2/h5,7H,6H2,1-4H3/b7-5-,10-8+,11-9-.
What are the key properties of ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate?
ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate has a molecular weight of 184.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate is sourced from PubChem (CID 144510646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).