2-phenylsulfanyl-4,5-dihydro-1,3-thiazole

C9H9NS2 — CID 22016883

IUPAC2-phenylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C9H9NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2
InChIKeyGSCAIFIGUGOYGC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.88
Rot. Bonds1

About 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole

2-phenylsulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 22016883) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-phenylsulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID22016883
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name2-phenylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C9H9NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2
InChIKeyGSCAIFIGUGOYGC-UHFFFAOYSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole (CID 22016883) is 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole is c1ccc(SC2=NCCS2)cc1.
What is the InChIKey of 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is GSCAIFIGUGOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5H,6-7H2.
What are the key properties of 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole?
2-phenylsulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 195.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22016883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).