ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine

C10H19NS2 — CID 144683265

IUPACethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
SMILESC=C/C(SC)=C(\N=C)SCC.CC
InChIInChI=1S/C8H13NS2.C2H6/c1-5-7(10-4)8(9-3)11-6-2;1-2/h5H,1,3,6H2,2,4H3;1-2H3/b8-7-;
InChIKeyJVSSDNKUWYGOAO-CFYXSCKTSA-N
MW217.40 g/mol
LogP4.18
Rot. Bonds5

About ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine

ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine (PubChem CID 144683265) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
PubChem CID144683265
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Nameethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
SMILESC=C/C(SC)=C(\N=C)SCC.CC
InChIInChI=1S/C8H13NS2.C2H6/c1-5-7(10-4)8(9-3)11-6-2;1-2/h5H,1,3,6H2,2,4H3;1-2H3/b8-7-;
InChIKeyJVSSDNKUWYGOAO-CFYXSCKTSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-1-propylsulfanylbuta-1,3-dienyl]methanimine
CID 142191435
ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
CID 143298417
N-[(1E)-1-ethylsulfanylbuta-1,3-dienyl]methanimine
CID 143298497
N-[(1E)-1-propan-2-ylsulfanylbuta-1,3-dienyl]methanimine
CID 144339549
ethane;N-[(1E)-1-ethylsulfanylbuta-1,3-dienyl]methanimine
CID 163301266
N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
CID 144683266

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine (CID 144683265) is ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine is C=C/C(SC)=C(\N=C)SCC.CC.
What is the InChIKey of ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The InChIKey is JVSSDNKUWYGOAO-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H13NS2.C2H6/c1-5-7(10-4)8(9-3)11-6-2;1-2/h5H,1,3,6H2,2,4H3;1-2H3/b8-7-;.
What are the key properties of ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine has a molecular weight of 217.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144683265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).