N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine

C8H13NS — CID 143081164

IUPACN-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C=C(/CCSC)N=C
InChIInChI=1S/C8H13NS/c1-4-5-8(9-2)6-7-10-3/h4-5H,1-2,6-7H2,3H3/b8-5-
InChIKeySQMQNQLEYFXWHU-YVMONPNESA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds5

About N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine

N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine (PubChem CID 143081164) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
PubChem CID143081164
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C=C(/CCSC)N=C
InChIInChI=1S/C8H13NS/c1-4-5-8(9-2)6-7-10-3/h4-5H,1-2,6-7H2,3H3/b8-5-
InChIKeySQMQNQLEYFXWHU-YVMONPNESA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-1-(2,3-dihydrothiophen-2-yl)buta-1,3-dienyl]ethanimine
CID 89188341
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
N-(2-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123516648
N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123551484
N-(4-methylsulfanylpent-2-en-3-yl)methanimine
CID 123620663
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
methyl N-hexa-1,3-dien-2-ylmethanimidothioate
CID 123981750
(1Z,3E,5Z,6Z)-5-ethylidene-2-methyl-7-(methylideneamino)octa-1,3,6-triene-1-thiol
CID 129041776
(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine
CID 130239492
N-[(2E,5Z,7Z)-9-methylidene-2-[(Z)-prop-1-enyl]-4H-thionin-3-yl]methanimine
CID 134590822
N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine
CID 137384360

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine (CID 143081164) is N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine is C=C/C=C(/CCSC)N=C.
What is the InChIKey of N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine?
The InChIKey is SQMQNQLEYFXWHU-YVMONPNESA-N. The full InChI is InChI=1S/C8H13NS/c1-4-5-8(9-2)6-7-10-3/h4-5H,1-2,6-7H2,3H3/b8-5-.
What are the key properties of N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]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-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 143081164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).