(3-methoxyphenyl)methyl thiohypochlorite

C8H9ClOS — CID 153381003

IUPAC(3-methoxyphenyl)methyl thiohypochlorite
SMILESCOc1cccc(CSCl)c1
InChIInChI=1S/C8H9ClOS/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5H,6H2,1H3
InChIKeyLSLXLEAASWQELS-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.08
Rot. Bonds3

About (3-methoxyphenyl)methyl thiohypochlorite

(3-methoxyphenyl)methyl thiohypochlorite (PubChem CID 153381003) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl thiohypochlorite.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl thiohypochlorite
PubChem CID153381003
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(3-methoxyphenyl)methyl thiohypochlorite
SMILESCOc1cccc(CSCl)c1
InChIInChI=1S/C8H9ClOS/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5H,6H2,1H3
InChIKeyLSLXLEAASWQELS-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10749403
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1-[(3-methoxyphenyl)methylsulfanyl]-4,5-dihydroimidazole
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CID 87640434
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
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2-hydroxy-N-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]ethanamine oxide
CID 134926515

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl thiohypochlorite?
The IUPAC name of (3-methoxyphenyl)methyl thiohypochlorite (CID 153381003) is (3-methoxyphenyl)methyl thiohypochlorite.
What is the SMILES notation for (3-methoxyphenyl)methyl thiohypochlorite?
The canonical SMILES for (3-methoxyphenyl)methyl thiohypochlorite is COc1cccc(CSCl)c1.
What is the InChIKey of (3-methoxyphenyl)methyl thiohypochlorite?
The InChIKey is LSLXLEAASWQELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5H,6H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl thiohypochlorite?
(3-methoxyphenyl)methyl thiohypochlorite has a molecular weight of 188.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl thiohypochlorite is sourced from PubChem (CID 153381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).