(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol

C11H17NS — CID 142918247

IUPAC(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol
SMILESC=C/C=C(S)/C=C/C(CCC)=N/C
InChIInChI=1S/C11H17NS/c1-4-6-10(12-3)8-9-11(13)7-5-2/h5,7-9,13H,2,4,6H2,1,3H3/b9-8+,11-7-,12-10+
InChIKeyWJHZCZKIEWHAJL-LFACANGYSA-N
MW195.33 g/mol
LogP3.41
Rot. Bonds5

About (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol

(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol (PubChem CID 142918247) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol.

Molecular Properties

Compound Name(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol
PubChem CID142918247
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol
SMILESC=C/C=C(S)/C=C/C(CCC)=N/C
InChIInChI=1S/C11H17NS/c1-4-6-10(12-3)8-9-11(13)7-5-2/h5,7-9,13H,2,4,6H2,1,3H3/b9-8+,11-7-,12-10+
InChIKeyWJHZCZKIEWHAJL-LFACANGYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4Z,6Z)-N-methylocta-4,6-dien-3-imine
CID 117937836
(4Z)-N-methylocta-4,6-dien-3-imine
CID 123244846
3-[[(E)-oct-5-en-4-ylidene]amino]propane-1-thiol
CID 123251752
(5Z)-N-methylocta-5,7-dien-4-imine
CID 123411844
(4Z)-N-methylhepta-4,6-dien-3-imine
CID 123648540
(4Z)-4-ethenyl-N-methylocta-4,6-dien-3-imine
CID 123697351
(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
CID 126491003
(5Z)-N-methylocta-5,7-dien-2-imine
CID 129064359
(1Z,3Z)-1-(5-methyl-3H-pyrrol-2-yl)penta-1,3-diene-1-thiol
CID 129102713
(3E,5E)-3-[(Z)-but-2-en-2-yl]-N-methylhepta-3,5-dien-2-imine
CID 135232931
(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine
CID 135270020
(4Z)-3-methyliminohepta-4,6-diene-1-thiol
CID 138599228

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol?
The IUPAC name of (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol (CID 142918247) is (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol.
What is the SMILES notation for (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol?
The canonical SMILES for (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol is C=C/C=C(S)/C=C/C(CCC)=N/C.
What is the InChIKey of (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol?
The InChIKey is WJHZCZKIEWHAJL-LFACANGYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-6-10(12-3)8-9-11(13)7-5-2/h5,7-9,13H,2,4,6H2,1,3H3/b9-8+,11-7-,12-10+.
What are the key properties of (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol?
(3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol has a molecular weight of 195.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-methyliminodeca-1,3,5-triene-4-thiol is sourced from PubChem (CID 142918247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).