1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine

C9H15NS — CID 123588441

IUPAC1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine
SMILESC=C/C=C\S(C)(C)/C=N/C=C
InChIInChI=1S/C9H15NS/c1-5-7-8-11(3,4)9-10-6-2/h5-9H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyRPKMAJZUOYSAGY-UQGDGPGGSA-N
MW169.29 g/mol
LogP2.92
Rot. Bonds4

About 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine

1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine (PubChem CID 123588441) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine.

Molecular Properties

Compound Name1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine
PubChem CID123588441
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine
SMILESC=C/C=C\S(C)(C)/C=N/C=C
InChIInChI=1S/C9H15NS/c1-5-7-8-11(3,4)9-10-6-2/h5-9H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyRPKMAJZUOYSAGY-UQGDGPGGSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazepine
CID 12444277
1,3-Thiazepine;hydrochloride
CID 69806768
methyl N-[(Z)-prop-1-enyl]methanimidothioate
CID 89336407
ethenyl N-prop-1-enylmethanimidothioate
CID 91557697
prop-2-enyl N-ethenylmethanimidothioate
CID 123407827
ethyl N-prop-1-enylmethanimidothioate
CID 123467621
[(1E)-buta-1,3-dienyl] N-[(E)-but-2-en-2-yl]methanimidothioate
CID 131966538
[(Z)-prop-1-enyl] N-ethenylmethanimidothioate
CID 134322554
N-[(1Z)-3-methylsulfanylbuta-1,3-dienyl]methanimine
CID 134443530
methyl N-[(E)-prop-1-enyl]methanimidothioate
CID 135161279
ethene;methyl N-[(1Z,3Z)-penta-1,3-dienyl]methanimidothioate
CID 141827466
[(Z)-prop-1-enyl] N-[(E)-prop-1-enyl]methanimidothioate
CID 143337699

Frequently Asked Questions

What is the IUPAC name of 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine?
The IUPAC name of 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine (CID 123588441) is 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine.
What is the SMILES notation for 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine?
The canonical SMILES for 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine is C=C/C=C\S(C)(C)/C=N/C=C.
What is the InChIKey of 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine?
The InChIKey is RPKMAJZUOYSAGY-UQGDGPGGSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-7-8-11(3,4)9-10-6-2/h5-9H,1-2H2,3-4H3/b8-7-,10-9+.
What are the key properties of 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine?
1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine has a molecular weight of 169.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1Z)-buta-1,3-dienyl]-dimethyl-λ4-sulfanyl]-N-ethenylmethanimine is sourced from PubChem (CID 123588441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).