5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine

C12H23NS — CID 146492315

IUPAC5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)(C)C1=C(C(C)(C)C)SCCN1
InChIInChI=1S/C12H23NS/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13H,7-8H2,1-6H3
InChIKeyZAESTVFLXCITSK-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.63
Rot. Bonds

About 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine

5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 146492315) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID146492315
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)(C)C1=C(C(C)(C)C)SCCN1
InChIInChI=1S/C12H23NS/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13H,7-8H2,1-6H3
InChIKeyZAESTVFLXCITSK-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine (CID 146492315) is 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine is CC(C)(C)C1=C(C(C)(C)C)SCCN1.
What is the InChIKey of 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is ZAESTVFLXCITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13H,7-8H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine?
5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 213.39 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 146492315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).