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

C9H7NOS2 — CID 21033001

IUPAC5-hydroxy-3-phenyl-1,3-thiazole-2-thione
SMILESOc1cn(-c2ccccc2)c(=S)s1
InChIInChI=1S/C9H7NOS2/c11-8-6-10(9(12)13-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyLEGHSJREBQMPAS-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.97
Rot. Bonds1

About 5-hydroxy-3-phenyl-1,3-thiazole-2-thione

5-hydroxy-3-phenyl-1,3-thiazole-2-thione (PubChem CID 21033001) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-hydroxy-3-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-hydroxy-3-phenyl-1,3-thiazole-2-thione
PubChem CID21033001
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name5-hydroxy-3-phenyl-1,3-thiazole-2-thione
SMILESOc1cn(-c2ccccc2)c(=S)s1
InChIInChI=1S/C9H7NOS2/c11-8-6-10(9(12)13-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyLEGHSJREBQMPAS-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-2-thiazolidinethione
CID 275673
1-Phenylpyrrolidine-2-thione
CID 600677
Carbamodithioic acid, methylphenyl-, methyl ester
CID 10888869
3-(4-Fluorophenyl)-4-hydroxythiazolidine-2-thione
CID 168339562
methyl N-phenyl-N-propylcarbamodithioate
CID 131856383
methyl N-hexyl-N-phenylcarbamodithioate
CID 134989189
Carbamodithioic acid, ethylphenyl-, methyl ester
CID 12283072
1-Phenylpyridine-2-thione
CID 12315695
carboxymethyl-N-methyl-N-phenyldithiocarbamate
CID 12613570
1-Phenylpyridine-4-thione
CID 14761332
4-Hydroxy-3-phenyl-1,3-thiazole-2-thione
CID 53640795
4-Hydroxy-3-phenyl-1,3-thiazol-2-one
CID 53793701

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 5-hydroxy-3-phenyl-1,3-thiazole-2-thione (CID 21033001) is 5-hydroxy-3-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 5-hydroxy-3-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 5-hydroxy-3-phenyl-1,3-thiazole-2-thione is Oc1cn(-c2ccccc2)c(=S)s1.
What is the InChIKey of 5-hydroxy-3-phenyl-1,3-thiazole-2-thione?
The InChIKey is LEGHSJREBQMPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-8-6-10(9(12)13-8)7-4-2-1-3-5-7/h1-6,11H.
What are the key properties of 5-hydroxy-3-phenyl-1,3-thiazole-2-thione?
5-hydroxy-3-phenyl-1,3-thiazole-2-thione has a molecular weight of 209.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 21033001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).