(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine

C9H15NS — CID 168932464

IUPAC(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine
SMILESC/N=C/C=C(C)/C=C(/C)SC
InChIInChI=1S/C9H15NS/c1-8(5-6-10-3)7-9(2)11-4/h5-7H,1-4H3/b8-5+,9-7-,10-6+
InChIKeyQFAWSIOVISACLR-ZNZWULBLSA-N
MW169.29 g/mol
LogP2.90
Rot. Bonds3

About (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine

(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine (PubChem CID 168932464) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine
PubChem CID168932464
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine
SMILESC/N=C/C=C(C)/C=C(/C)SC
InChIInChI=1S/C9H15NS/c1-8(5-6-10-3)7-9(2)11-4/h5-7H,1-4H3/b8-5+,9-7-,10-6+
InChIKeyQFAWSIOVISACLR-ZNZWULBLSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
CID 89470417
5-(1-Methylsulfanylethyl)-2,3-dihydropyridine
CID 91177357
N-ethyl-2-(1-methylsulfanylethyl)but-2-en-1-imine
CID 91180521
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N,3,4-trimethylpenta-2,4-dien-1-imine
CID 123912996
methyl N-[(2Z,4Z)-3-methylhepta-2,4-dienyl]ethanimidothioate
CID 130183519
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
Ethane;5-methylsulfanyl-2,3-dihydropyridine
CID 141864684
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
(2E)-N-ethyl-3,4-dimethylpenta-2,4-dien-1-imine
CID 142840673
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157875

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine (CID 168932464) is (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine is C/N=C/C=C(C)/C=C(/C)SC.
What is the InChIKey of (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine?
The InChIKey is QFAWSIOVISACLR-ZNZWULBLSA-N. The full InChI is InChI=1S/C9H15NS/c1-8(5-6-10-3)7-9(2)11-4/h5-7H,1-4H3/b8-5+,9-7-,10-6+.
What are the key properties of (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine?
(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine has a molecular weight of 169.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine is sourced from PubChem (CID 168932464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).