2-(disulfanyl)-1-methoxy-4-methylbenzene

C8H10OS2 — CID 117033813

IUPAC2-(disulfanyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1SS
InChIInChI=1S/C8H10OS2/c1-6-3-4-7(9-2)8(5-6)11-10/h3-5,10H,1-2H3
InChIKeyGLHCSBXFBGDYKL-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.94
Rot. Bonds2

About 2-(disulfanyl)-1-methoxy-4-methylbenzene

2-(disulfanyl)-1-methoxy-4-methylbenzene (PubChem CID 117033813) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(disulfanyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(disulfanyl)-1-methoxy-4-methylbenzene
PubChem CID117033813
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name2-(disulfanyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1SS
InChIInChI=1S/C8H10OS2/c1-6-3-4-7(9-2)8(5-6)11-10/h3-5,10H,1-2H3
InChIKeyGLHCSBXFBGDYKL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(disulfanyl)-1-methoxy-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
S-(2-methoxy-5-methylphenyl) methanethioate
CID 117033659
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
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
CID 175002505
CID 175002505
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
S-(2-methoxy-4-methylphenyl)thiohydroxylamine
CID 142317823
imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
CID 20737116

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(disulfanyl)-1-methoxy-4-methylbenzene (CID 117033813) is 2-(disulfanyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(disulfanyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(disulfanyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1SS.
What is the InChIKey of 2-(disulfanyl)-1-methoxy-4-methylbenzene?
The InChIKey is GLHCSBXFBGDYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-6-3-4-7(9-2)8(5-6)11-10/h3-5,10H,1-2H3.
What are the key properties of 2-(disulfanyl)-1-methoxy-4-methylbenzene?
2-(disulfanyl)-1-methoxy-4-methylbenzene has a molecular weight of 186.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 117033813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).