3-(2-hydroxyethyl)-1,3-thiazole-2-thione

C5H7NOS2 — CID 141188624

IUPAC3-(2-hydroxyethyl)-1,3-thiazole-2-thione
SMILESOCCn1ccsc1=S
InChIInChI=1S/C5H7NOS2/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2
InChIKeyOFFRJJKTCYQPOW-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.27
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,3-thiazole-2-thione

3-(2-hydroxyethyl)-1,3-thiazole-2-thione (PubChem CID 141188624) has the molecular formula C5H7NOS2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,3-thiazole-2-thione
PubChem CID141188624
Molecular FormulaC5H7NOS2
Molecular Weight161.25 g/mol
Exact Mass161.00
IUPAC Name3-(2-hydroxyethyl)-1,3-thiazole-2-thione
SMILESOCCn1ccsc1=S
InChIInChI=1S/C5H7NOS2/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2
InChIKeyOFFRJJKTCYQPOW-UHFFFAOYSA-N
XLogP1.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.27
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-Hydroxyethylthiazole
CID 67246786
3-(Hydroxymethyl)-1,3-thiazole-2-thione
CID 53996894
4-Hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione
CID 54573740
3-(2-Hydroperoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 91108422
3-(2-Hydroxyethenyl)-1,3-thiazole-2-thione
CID 141188626
2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide
CID 173069862
(3-Methyl-1,3-thiazol-2-ylidene)methanol
CID 71338685
(Z)-(3-methyl-1,3-thiazol-2-ylidene)methanol
CID 177696409

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazole-2-thione (CID 141188624) is 3-(2-hydroxyethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-hydroxyethyl)-1,3-thiazole-2-thione is OCCn1ccsc1=S.
What is the InChIKey of 3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The InChIKey is OFFRJJKTCYQPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS2/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2.
What are the key properties of 3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
3-(2-hydroxyethyl)-1,3-thiazole-2-thione has a molecular weight of 161.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 141188624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).