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

C10H10FNS2 — CID 22016853

IUPAC2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESFc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H10FNS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2
InChIKeyAHEKZNMVDHJUNZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.41
Rot. Bonds1

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

2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016853) has the molecular formula C10H10FNS2 and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016853
Molecular FormulaC10H10FNS2
Molecular Weight227.33 g/mol
Exact Mass227.02
IUPAC Name2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESFc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H10FNS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2
InChIKeyAHEKZNMVDHJUNZ-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016853) is 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is Fc1ccc(SC2=NCCCS2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is AHEKZNMVDHJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 227.33 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).