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

C11H13NS2 — CID 22016872

IUPAC2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C11H13NS2/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11/h3-6H,2,7-8H2,1H3
InChIKeyBSSQYLVDMSGRFR-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.58
Rot. Bonds1

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

2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016872) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016872
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C11H13NS2/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11/h3-6H,2,7-8H2,1H3
InChIKeyBSSQYLVDMSGRFR-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016872) is 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is Cc1ccc(SC2=NCCCS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is BSSQYLVDMSGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 223.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).