[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite

C7H8ClNOS2 — CID 170206110

IUPAC[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite
SMILESCC(C)C(=O)c1scnc1SCl
InChIInChI=1S/C7H8ClNOS2/c1-4(2)5(10)6-7(12-8)9-3-11-6/h3-4H,1-2H3
InChIKeySDJVHMZFAMMUIP-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.23
Rot. Bonds3

About [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite

[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite (PubChem CID 170206110) has the molecular formula C7H8ClNOS2 and a molecular weight of 221.73 g/mol. Its IUPAC name is [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite.

Molecular Properties

Compound Name[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite
PubChem CID170206110
Molecular FormulaC7H8ClNOS2
Molecular Weight221.73 g/mol
Exact Mass220.97
IUPAC Name[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite
SMILESCC(C)C(=O)c1scnc1SCl
InChIInChI=1S/C7H8ClNOS2/c1-4(2)5(10)6-7(12-8)9-3-11-6/h3-4H,1-2H3
InChIKeySDJVHMZFAMMUIP-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(1,3-thiazol-5-yl)propan-1-one
CID 57720987
3-Methyl-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477282
1-(4-Chloro-1,3-thiazol-5-yl)propan-1-one
CID 170755421
1-(2-Chloro-5-thiazolyl)-2-methyl-1-propanone
CID 170758080
1-(4-Chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593759
2-Methyl-1-(2-(methylthio)thiazol-5-yl)propan-1-one
CID 177691456

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite?
The IUPAC name of [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite (CID 170206110) is [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite.
What is the SMILES notation for [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite?
The canonical SMILES for [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite is CC(C)C(=O)c1scnc1SCl.
What is the InChIKey of [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite?
The InChIKey is SDJVHMZFAMMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS2/c1-4(2)5(10)6-7(12-8)9-3-11-6/h3-4H,1-2H3.
What are the key properties of [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite?
[5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite has a molecular weight of 221.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropanoyl)-1,3-thiazol-4-yl] thiohypochlorite is sourced from PubChem (CID 170206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).