styrene;1,2-thiazol-4-one

C11H11NOS — CID 175601664

IUPACstyrene;1,2-thiazol-4-one
SMILESC=Cc1ccccc1.O=C1C=NSC1
InChIInChI=1S/C8H8.C3H3NOS/c1-2-8-6-4-3-5-7-8;5-3-1-4-6-2-3/h2-7H,1H2;1H,2H2
InChIKeyTYBSJZIUXOUCSL-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.62
Rot. Bonds1

About styrene;1,2-thiazol-4-one

styrene;1,2-thiazol-4-one (PubChem CID 175601664) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is styrene;1,2-thiazol-4-one.

Molecular Properties

Compound Namestyrene;1,2-thiazol-4-one
PubChem CID175601664
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Namestyrene;1,2-thiazol-4-one
SMILESC=Cc1ccccc1.O=C1C=NSC1
InChIInChI=1S/C8H8.C3H3NOS/c1-2-8-6-4-3-5-7-8;5-3-1-4-6-2-3/h2-7H,1H2;1H,2H2
InChIKeyTYBSJZIUXOUCSL-UHFFFAOYSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of styrene;1,2-thiazol-4-one?
The IUPAC name of styrene;1,2-thiazol-4-one (CID 175601664) is styrene;1,2-thiazol-4-one.
What is the SMILES notation for styrene;1,2-thiazol-4-one?
The canonical SMILES for styrene;1,2-thiazol-4-one is C=Cc1ccccc1.O=C1C=NSC1.
What is the InChIKey of styrene;1,2-thiazol-4-one?
The InChIKey is TYBSJZIUXOUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H3NOS/c1-2-8-6-4-3-5-7-8;5-3-1-4-6-2-3/h2-7H,1H2;1H,2H2.
What are the key properties of styrene;1,2-thiazol-4-one?
styrene;1,2-thiazol-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;1,2-thiazol-4-one is sourced from PubChem (CID 175601664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).