2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine

C14H19NS2 — CID 22016858

IUPAC2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)c1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C14H19NS2/c1-14(2,3)11-5-7-12(8-6-11)17-13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3
InChIKeyZWFAPYZFBOZYHE-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.57
Rot. Bonds1

About 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine

2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016858) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016858
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)c1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C14H19NS2/c1-14(2,3)11-5-7-12(8-6-11)17-13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3
InChIKeyZWFAPYZFBOZYHE-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016858) is 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is CC(C)(C)c1ccc(SC2=NCCCS2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is ZWFAPYZFBOZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-14(2,3)11-5-7-12(8-6-11)17-13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 265.45 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).