N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine

C8H13NS — CID 174288884

IUPACN-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=CCCSC
InChIInChI=1S/C8H13NS/c1-9-7-5-3-4-6-8-10-2/h3-5,7H,1,6,8H2,2H3/b4-3?,7-5-
InChIKeyZBNFWNKVPSQLBP-YFPBZNGSSA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds5

About N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine

N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine (PubChem CID 174288884) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine
PubChem CID174288884
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=CCCSC
InChIInChI=1S/C8H13NS/c1-9-7-5-3-4-6-8-10-2/h3-5,7H,1,6,8H2,2H3/b4-3?,7-5-
InChIKeyZBNFWNKVPSQLBP-YFPBZNGSSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine (CID 174288884) is N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine is C=N/C=C\C=CCCSC.
What is the InChIKey of N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine?
The InChIKey is ZBNFWNKVPSQLBP-YFPBZNGSSA-N. The full InChI is InChI=1S/C8H13NS/c1-9-7-5-3-4-6-8-10-2/h3-5,7H,1,6,8H2,2H3/b4-3?,7-5-.
What are the key properties of N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine?
N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine has a molecular weight of 155.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-6-methylsulfanylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 174288884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).