(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine

C12H15NS — CID 142918181

IUPAC(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine
SMILESC/C=C\C(\C=C\C1=CC=CCS1)=N/C
InChIInChI=1S/C12H15NS/c1-3-6-11(13-2)8-9-12-7-4-5-10-14-12/h3-9H,10H2,1-2H3/b6-3-,9-8+,13-11+
InChIKeyOTCLNPIVWOKCMN-OAWBQKOQSA-N
MW205.33 g/mol
LogP3.38
Rot. Bonds3

About (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine

(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine (PubChem CID 142918181) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine
PubChem CID142918181
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine
SMILESC/C=C\C(\C=C\C1=CC=CCS1)=N/C
InChIInChI=1S/C12H15NS/c1-3-6-11(13-2)8-9-12-7-4-5-10-14-12/h3-9H,10H2,1-2H3/b6-3-,9-8+,13-11+
InChIKeyOTCLNPIVWOKCMN-OAWBQKOQSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-1,1,1-trifluoro-N-methyl-6-methylsulfanylhexa-3,5-dien-2-imine
CID 135159898
(3Z,5E)-6-ethylsulfanyl-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine
CID 139471611
1-ethyl-2H-1,3-benzothiazole
CID 57149168
2,3,4,6-Tetrahydro-1,5-benzothiazepine
CID 69958314
(3E)-3-ethylsulfanylhexa-3,5-dien-2-imine
CID 91374063
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
CID 123528853
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine
CID 123687327
(4Z)-3-methyliminohepta-4,6-diene-1-thiol
CID 138599228
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine?
The IUPAC name of (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine (CID 142918181) is (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine.
What is the SMILES notation for (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine?
The canonical SMILES for (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine is C/C=C\C(\C=C\C1=CC=CCS1)=N/C.
What is the InChIKey of (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine?
The InChIKey is OTCLNPIVWOKCMN-OAWBQKOQSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-6-11(13-2)8-9-12-7-4-5-10-14-12/h3-9H,10H2,1-2H3/b6-3-,9-8+,13-11+.
What are the key properties of (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine?
(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine has a molecular weight of 205.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine is sourced from PubChem (CID 142918181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).