4-ethenyl-1,4-thiazine

C6H7NS — CID 57000068

IUPAC4-ethenyl-1,4-thiazine
SMILESC=CN1C=CSC=C1
InChIInChI=1S/C6H7NS/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
InChIKeyRETJQJOSEXWAPD-UHFFFAOYSA-N
MW125.20 g/mol
LogP2.12
Rot. Bonds1

About 4-ethenyl-1,4-thiazine

4-ethenyl-1,4-thiazine (PubChem CID 57000068) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 4-ethenyl-1,4-thiazine.

Molecular Properties

Compound Name4-ethenyl-1,4-thiazine
PubChem CID57000068
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name4-ethenyl-1,4-thiazine
SMILESC=CN1C=CSC=C1
InChIInChI=1S/C6H7NS/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
InChIKeyRETJQJOSEXWAPD-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,4-thiazine?
The IUPAC name of 4-ethenyl-1,4-thiazine (CID 57000068) is 4-ethenyl-1,4-thiazine.
What is the SMILES notation for 4-ethenyl-1,4-thiazine?
The canonical SMILES for 4-ethenyl-1,4-thiazine is C=CN1C=CSC=C1.
What is the InChIKey of 4-ethenyl-1,4-thiazine?
The InChIKey is RETJQJOSEXWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-7-3-5-8-6-4-7/h2-6H,1H2.
What are the key properties of 4-ethenyl-1,4-thiazine?
4-ethenyl-1,4-thiazine has a molecular weight of 125.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,4-thiazine is sourced from PubChem (CID 57000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).