3,4-dihydro-2H-1,3-thiazine

C4H7NS — CID 19905276

IUPAC3,4-dihydro-2H-1,3-thiazine
SMILESC1=CSCNC1
InChIInChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2
InChIKeyVGYDMOUMIQOMMU-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.79
Rot. Bonds

About 3,4-dihydro-2H-1,3-thiazine

3,4-dihydro-2H-1,3-thiazine (PubChem CID 19905276) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,3-thiazine
PubChem CID19905276
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name3,4-dihydro-2H-1,3-thiazine
SMILESC1=CSCNC1
InChIInChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2
InChIKeyVGYDMOUMIQOMMU-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 3,4-dihydro-2H-1,3-thiazine (CID 19905276) is 3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 3,4-dihydro-2H-1,3-thiazine is C1=CSCNC1.
What is the InChIKey of 3,4-dihydro-2H-1,3-thiazine?
The InChIKey is VGYDMOUMIQOMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2.
What are the key properties of 3,4-dihydro-2H-1,3-thiazine?
3,4-dihydro-2H-1,3-thiazine has a molecular weight of 101.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 19905276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).