4,4-dimethyl-5,6-dihydro-1,3-thiazine

C6H11NS — CID 119098572

IUPAC4,4-dimethyl-5,6-dihydro-1,3-thiazine
SMILESCC1(C)CCSC=N1
InChIInChI=1S/C6H11NS/c1-6(2)3-4-8-5-7-6/h5H,3-4H2,1-2H3
InChIKeyUKZICXUIJFFSTO-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.93
Rot. Bonds

About 4,4-dimethyl-5,6-dihydro-1,3-thiazine

4,4-dimethyl-5,6-dihydro-1,3-thiazine (PubChem CID 119098572) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4,4-dimethyl-5,6-dihydro-1,3-thiazine.

Molecular Properties

Compound Name4,4-dimethyl-5,6-dihydro-1,3-thiazine
PubChem CID119098572
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4,4-dimethyl-5,6-dihydro-1,3-thiazine
SMILESCC1(C)CCSC=N1
InChIInChI=1S/C6H11NS/c1-6(2)3-4-8-5-7-6/h5H,3-4H2,1-2H3
InChIKeyUKZICXUIJFFSTO-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5,6-dihydro-1,3-thiazine?
The IUPAC name of 4,4-dimethyl-5,6-dihydro-1,3-thiazine (CID 119098572) is 4,4-dimethyl-5,6-dihydro-1,3-thiazine.
What is the SMILES notation for 4,4-dimethyl-5,6-dihydro-1,3-thiazine?
The canonical SMILES for 4,4-dimethyl-5,6-dihydro-1,3-thiazine is CC1(C)CCSC=N1.
What is the InChIKey of 4,4-dimethyl-5,6-dihydro-1,3-thiazine?
The InChIKey is UKZICXUIJFFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(2)3-4-8-5-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-5,6-dihydro-1,3-thiazine?
4,4-dimethyl-5,6-dihydro-1,3-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5,6-dihydro-1,3-thiazine is sourced from PubChem (CID 119098572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).