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

C10H9NOS2 — CID 54296987

IUPAC3-benzyl-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeySBLXTHMCTSJDNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.03
Rot. Bonds2

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

3-benzyl-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54296987) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54296987
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name3-benzyl-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeySBLXTHMCTSJDNW-UHFFFAOYSA-N
XLogP3.03
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.03
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-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
1-Benzyl-3-hydroxypyridine-2-thione
CID 46198177
Thiazolidine-2,4-dione, 25b
CID 91896050
N-phenethyl-rhodanine
CID 54161397
3-Benzyl-1,3-thiazolidine-2-thione
CID 275676
3-Methyl-4-phenyl-1,3-thiazole-2(3H)-thione
CID 519864
3-[(4-Fluorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 123864243
4-Benzyl-2,4-thiazolidine-3,5-dione
CID 54413313
methyl N-benzyl-N-propylcarbamodithioate
CID 10955656
3-Benzyl-4-phenyl-1,3-thiazole-2(3h)-thione
CID 4601338
3-Hydroxy-4-phenyl-1,3-thiazole-2(3H)-thione
CID 10198211
3-Benzyl-4-methyl-1,3-thiazole-2-thione
CID 12658730

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione (CID 54296987) is 3-benzyl-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione is Oc1csc(=S)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is SBLXTHMCTSJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5,7,12H,6H2.
What are the key properties of 3-benzyl-4-hydroxy-1,3-thiazole-2-thione?
3-benzyl-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 223.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54296987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).