3-hydroxy-4-phenyl-1,3-thiazole-2-thione

C9H7NOS2 — CID 10198211

IUPAC3-hydroxy-4-phenyl-1,3-thiazole-2-thione
SMILESOn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C9H7NOS2/c11-10-8(6-13-9(10)12)7-4-2-1-3-5-7/h1-6,11H
InChIKeyANOKHLGCGJZPNP-UHFFFAOYSA-N
MW209.30 g/mol
LogP3.18
Rot. Bonds1

About 3-hydroxy-4-phenyl-1,3-thiazole-2-thione

3-hydroxy-4-phenyl-1,3-thiazole-2-thione (PubChem CID 10198211) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-1,3-thiazole-2-thione
PubChem CID10198211
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name3-hydroxy-4-phenyl-1,3-thiazole-2-thione
SMILESOn1c(-c2ccccc2)csc1=S
InChIInChI=1S/C9H7NOS2/c11-10-8(6-13-9(10)12)7-4-2-1-3-5-7/h1-6,11H
InChIKeyANOKHLGCGJZPNP-UHFFFAOYSA-N
XLogP3.18
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 3-hydroxy-4-phenyl-1,3-thiazole-2-thione (CID 10198211) is 3-hydroxy-4-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-hydroxy-4-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-hydroxy-4-phenyl-1,3-thiazole-2-thione is On1c(-c2ccccc2)csc1=S.
What is the InChIKey of 3-hydroxy-4-phenyl-1,3-thiazole-2-thione?
The InChIKey is ANOKHLGCGJZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-10-8(6-13-9(10)12)7-4-2-1-3-5-7/h1-6,11H.
What are the key properties of 3-hydroxy-4-phenyl-1,3-thiazole-2-thione?
3-hydroxy-4-phenyl-1,3-thiazole-2-thione has a molecular weight of 209.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 10198211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).