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

C4H7NS — CID 175703406

IUPAC2-deuterio-3,4-dihydro-2H-1,3-thiazine
SMILES[2H]C1NCC=CS1
InChIInChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2/i4D
InChIKeyVGYDMOUMIQOMMU-QYKNYGDISA-N
MW102.18 g/mol
LogP0.79
Rot. Bonds

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

2-deuterio-3,4-dihydro-2H-1,3-thiazine (PubChem CID 175703406) has the molecular formula C4H7NS and a molecular weight of 102.18 g/mol. Its IUPAC name is 2-deuterio-3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name2-deuterio-3,4-dihydro-2H-1,3-thiazine
PubChem CID175703406
Molecular FormulaC4H7NS
Molecular Weight102.18 g/mol
Exact Mass102.04
IUPAC Name2-deuterio-3,4-dihydro-2H-1,3-thiazine
SMILES[2H]C1NCC=CS1
InChIInChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2/i4D
InChIKeyVGYDMOUMIQOMMU-QYKNYGDISA-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 ≤ 500102.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 2-deuterio-3,4-dihydro-2H-1,3-thiazine (CID 175703406) is 2-deuterio-3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 2-deuterio-3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 2-deuterio-3,4-dihydro-2H-1,3-thiazine is [2H]C1NCC=CS1.
What is the InChIKey of 2-deuterio-3,4-dihydro-2H-1,3-thiazine?
The InChIKey is VGYDMOUMIQOMMU-QYKNYGDISA-N. The full InChI is InChI=1S/C4H7NS/c1-2-5-4-6-3-1/h1,3,5H,2,4H2/i4D.
What are the key properties of 2-deuterio-3,4-dihydro-2H-1,3-thiazine?
2-deuterio-3,4-dihydro-2H-1,3-thiazine has a molecular weight of 102.18 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 2-deuterio-3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 175703406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).