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

C10H9Cl2NS2 — CID 22016880

IUPAC2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESClc1ccc(SC2=NCCCS2)c(Cl)c1
InChIInChI=1S/C10H9Cl2NS2/c11-7-2-3-9(8(12)6-7)15-10-13-4-1-5-14-10/h2-3,6H,1,4-5H2
InChIKeyZIRFVCADTYSDNF-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.58
Rot. Bonds1

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

2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016880) has the molecular formula C10H9Cl2NS2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016880
Molecular FormulaC10H9Cl2NS2
Molecular Weight278.23 g/mol
Exact Mass276.96
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESClc1ccc(SC2=NCCCS2)c(Cl)c1
InChIInChI=1S/C10H9Cl2NS2/c11-7-2-3-9(8(12)6-7)15-10-13-4-1-5-14-10/h2-3,6H,1,4-5H2
InChIKeyZIRFVCADTYSDNF-UHFFFAOYSA-N
XLogP4.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016880) is 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is Clc1ccc(SC2=NCCCS2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is ZIRFVCADTYSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NS2/c11-7-2-3-9(8(12)6-7)15-10-13-4-1-5-14-10/h2-3,6H,1,4-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 278.23 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).