3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine

C9H11NS — CID 89176393

IUPAC3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)SC=CN1
InChIInChI=1S/C9H11NS/c1-3-5-9-8(4-2)10-6-7-11-9/h3-7,10H,2H2,1H3/b5-3-
InChIKeyQQBWQJPVWSDPSM-HYXAFXHYSA-N
MW165.26 g/mol
LogP2.77
Rot. Bonds2

About 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine

3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine (PubChem CID 89176393) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine.

Molecular Properties

Compound Name3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
PubChem CID89176393
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)SC=CN1
InChIInChI=1S/C9H11NS/c1-3-5-9-8(4-2)10-6-7-11-9/h3-7,10H,2H2,1H3/b5-3-
InChIKeyQQBWQJPVWSDPSM-HYXAFXHYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The IUPAC name of 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine (CID 89176393) is 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine.
What is the SMILES notation for 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The canonical SMILES for 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine is C=CC1=C(/C=C\C)SC=CN1.
What is the InChIKey of 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The InChIKey is QQBWQJPVWSDPSM-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-5-9-8(4-2)10-6-7-11-9/h3-7,10H,2H2,1H3/b5-3-.
What are the key properties of 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine has a molecular weight of 165.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine is sourced from PubChem (CID 89176393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).