6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine

C9H11NS — CID 143838546

IUPAC6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
SMILESC=C/C(C)=C\C1=CN=CCS1
InChIInChI=1S/C9H11NS/c1-3-8(2)6-9-7-10-4-5-11-9/h3-4,6-7H,1,5H2,2H3/b8-6-
InChIKeyOSKZCDQEHMFGIO-VURMDHGXSA-N
MW165.26 g/mol
LogP2.78
Rot. Bonds2

About 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine

6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine (PubChem CID 143838546) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine.

Molecular Properties

Compound Name6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
PubChem CID143838546
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
SMILESC=C/C(C)=C\C1=CN=CCS1
InChIInChI=1S/C9H11NS/c1-3-8(2)6-9-7-10-4-5-11-9/h3-4,6-7H,1,5H2,2H3/b8-6-
InChIKeyOSKZCDQEHMFGIO-VURMDHGXSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (4Z)-5-(ethylideneamino)-3-methylpenta-2,4-dienedithioate
CID 90687127
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
CID 142226066
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine;prop-1-ene
CID 142809559
N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
CID 143899913
N-[(1Z,3E)-3-methyl-2-methylsulfanylhexa-1,3,5-trienyl]methanimine
CID 142616344
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 142809560

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine?
The IUPAC name of 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine (CID 143838546) is 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine.
What is the SMILES notation for 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine?
The canonical SMILES for 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine is C=C/C(C)=C\C1=CN=CCS1.
What is the InChIKey of 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine?
The InChIKey is OSKZCDQEHMFGIO-VURMDHGXSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-8(2)6-9-7-10-4-5-11-9/h3-4,6-7H,1,5H2,2H3/b8-6-.
What are the key properties of 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine?
6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine has a molecular weight of 165.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine is sourced from PubChem (CID 143838546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).