2-phenylsulfanyl-1,3-thiazole

C9H7NS2 — CID 606073

IUPAC2-phenylsulfanyl-1,3-thiazole
SMILESc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C9H7NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H
InChIKeyWJUZBIMIEZOALU-UHFFFAOYSA-N
MW193.30 g/mol
LogP3.29
Rot. Bonds2

About 2-phenylsulfanyl-1,3-thiazole

2-phenylsulfanyl-1,3-thiazole (PubChem CID 606073) has the molecular formula C9H7NS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is 2-phenylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-phenylsulfanyl-1,3-thiazole
PubChem CID606073
Molecular FormulaC9H7NS2
Molecular Weight193.30 g/mol
Exact Mass193.00
IUPAC Name2-phenylsulfanyl-1,3-thiazole
SMILESc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C9H7NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H
InChIKeyWJUZBIMIEZOALU-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1,3-thiazole?
The IUPAC name of 2-phenylsulfanyl-1,3-thiazole (CID 606073) is 2-phenylsulfanyl-1,3-thiazole.
What is the SMILES notation for 2-phenylsulfanyl-1,3-thiazole?
The canonical SMILES for 2-phenylsulfanyl-1,3-thiazole is c1ccc(Sc2nccs2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1,3-thiazole?
The InChIKey is WJUZBIMIEZOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS2/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H.
What are the key properties of 2-phenylsulfanyl-1,3-thiazole?
2-phenylsulfanyl-1,3-thiazole has a molecular weight of 193.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1,3-thiazole is sourced from PubChem (CID 606073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).