6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine

C12H15NS — CID 12998654

IUPAC6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine
SMILESCC1(C)SCCN=C1c1ccccc1
InChIInChI=1S/C12H15NS/c1-12(2)11(13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKPQLHVZLPKXFTK-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.00
Rot. Bonds1

About 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine

6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine (PubChem CID 12998654) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine
PubChem CID12998654
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine
SMILESCC1(C)SCCN=C1c1ccccc1
InChIInChI=1S/C12H15NS/c1-12(2)11(13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKPQLHVZLPKXFTK-UHFFFAOYSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine?
The IUPAC name of 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine (CID 12998654) is 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine is CC1(C)SCCN=C1c1ccccc1.
What is the InChIKey of 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine?
The InChIKey is KPQLHVZLPKXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-12(2)11(13-8-9-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine?
6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine has a molecular weight of 205.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-phenyl-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 12998654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).