2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine

C10H11NS2 — CID 22016900

IUPAC2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H11NS2/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChIKeyFOGJOPGPIYHONH-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.27
Rot. Bonds1

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

2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016900) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016900
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H11NS2/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChIKeyFOGJOPGPIYHONH-UHFFFAOYSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016900) is 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine is c1ccc(SC2=NCCCS2)cc1.
What is the InChIKey of 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is FOGJOPGPIYHONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 209.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).