(5-methoxy-2-propanoylphenyl) thiohypochlorite

C10H11ClO2S — CID 155744576

IUPAC(5-methoxy-2-propanoylphenyl) thiohypochlorite
SMILESCCC(=O)c1ccc(OC)cc1SCl
InChIInChI=1S/C10H11ClO2S/c1-3-9(12)8-5-4-7(13-2)6-10(8)14-11/h4-6H,3H2,1-2H3
InChIKeyZBXYJVWMNAESSY-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.53
Rot. Bonds4

About (5-methoxy-2-propanoylphenyl) thiohypochlorite

(5-methoxy-2-propanoylphenyl) thiohypochlorite (PubChem CID 155744576) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is (5-methoxy-2-propanoylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(5-methoxy-2-propanoylphenyl) thiohypochlorite
PubChem CID155744576
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name(5-methoxy-2-propanoylphenyl) thiohypochlorite
SMILESCCC(=O)c1ccc(OC)cc1SCl
InChIInChI=1S/C10H11ClO2S/c1-3-9(12)8-5-4-7(13-2)6-10(8)14-11/h4-6H,3H2,1-2H3
InChIKeyZBXYJVWMNAESSY-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
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1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
CID 103395254
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
2-(3-hydroxybutan-2-ylsulfanyl)-4-methoxybenzoic acid
CID 107772025
4-methoxy-2-(3-methylbutylsulfanyl)benzoic acid
CID 107758014
(2-amino-4-methoxyphenyl) thiohypochlorite
CID 87575480
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-propanoylphenyl) thiohypochlorite?
The IUPAC name of (5-methoxy-2-propanoylphenyl) thiohypochlorite (CID 155744576) is (5-methoxy-2-propanoylphenyl) thiohypochlorite.
What is the SMILES notation for (5-methoxy-2-propanoylphenyl) thiohypochlorite?
The canonical SMILES for (5-methoxy-2-propanoylphenyl) thiohypochlorite is CCC(=O)c1ccc(OC)cc1SCl.
What is the InChIKey of (5-methoxy-2-propanoylphenyl) thiohypochlorite?
The InChIKey is ZBXYJVWMNAESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-3-9(12)8-5-4-7(13-2)6-10(8)14-11/h4-6H,3H2,1-2H3.
What are the key properties of (5-methoxy-2-propanoylphenyl) thiohypochlorite?
(5-methoxy-2-propanoylphenyl) thiohypochlorite has a molecular weight of 230.72 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-propanoylphenyl) thiohypochlorite is sourced from PubChem (CID 155744576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).