(2-methoxy-5-methylphenyl) thiohypochlorite

C8H9ClOS — CID 117036074

IUPAC(2-methoxy-5-methylphenyl) thiohypochlorite
SMILESCOc1ccc(C)cc1SCl
InChIInChI=1S/C8H9ClOS/c1-6-3-4-7(10-2)8(5-6)11-9/h3-5H,1-2H3
InChIKeyGIMOUSKAJORMBX-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.25
Rot. Bonds2

About (2-methoxy-5-methylphenyl) thiohypochlorite

(2-methoxy-5-methylphenyl) thiohypochlorite (PubChem CID 117036074) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl) thiohypochlorite
PubChem CID117036074
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(2-methoxy-5-methylphenyl) thiohypochlorite
SMILESCOc1ccc(C)cc1SCl
InChIInChI=1S/C8H9ClOS/c1-6-3-4-7(10-2)8(5-6)11-9/h3-5H,1-2H3
InChIKeyGIMOUSKAJORMBX-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
S-(2-methoxy-5-methylphenyl) methanethioate
CID 117033659
(2-fluoro-5-methylphenyl) thiohypochlorite
CID 126731681
chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth
CID 10652517
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
3-(2-methoxy-5-methylphenyl)sulfanylbutan-1-amine
CID 117032659
methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
CID 117033992
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
CID 175002505
CID 175002505

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl) thiohypochlorite?
The IUPAC name of (2-methoxy-5-methylphenyl) thiohypochlorite (CID 117036074) is (2-methoxy-5-methylphenyl) thiohypochlorite.
What is the SMILES notation for (2-methoxy-5-methylphenyl) thiohypochlorite?
The canonical SMILES for (2-methoxy-5-methylphenyl) thiohypochlorite is COc1ccc(C)cc1SCl.
What is the InChIKey of (2-methoxy-5-methylphenyl) thiohypochlorite?
The InChIKey is GIMOUSKAJORMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-6-3-4-7(10-2)8(5-6)11-9/h3-5H,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl) thiohypochlorite?
(2-methoxy-5-methylphenyl) thiohypochlorite has a molecular weight of 188.68 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl) thiohypochlorite is sourced from PubChem (CID 117036074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).