2-chloro-4-methoxy-1-(methyldisulfanyl)benzene

C8H9ClOS2 — CID 58500368

IUPAC2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
SMILESCOc1ccc(SSC)c(Cl)c1
InChIInChI=1S/C8H9ClOS2/c1-10-6-3-4-8(12-11-2)7(9)5-6/h3-5H,1-2H3
InChIKeyLOZYHBXXXKTBTP-UHFFFAOYSA-N
MW220.75 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene

2-chloro-4-methoxy-1-(methyldisulfanyl)benzene (PubChem CID 58500368) has the molecular formula C8H9ClOS2 and a molecular weight of 220.75 g/mol. Its IUPAC name is 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene.

Molecular Properties

Compound Name2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
PubChem CID58500368
Molecular FormulaC8H9ClOS2
Molecular Weight220.75 g/mol
Exact Mass219.98
IUPAC Name2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
SMILESCOc1ccc(SSC)c(Cl)c1
InChIInChI=1S/C8H9ClOS2/c1-10-6-3-4-8(12-11-2)7(9)5-6/h3-5H,1-2H3
InChIKeyLOZYHBXXXKTBTP-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.75
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-hydroxysulfanyl-4-methoxybenzene
CID 123526479
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
sodium 2-chloro-4-methoxyphenolate
CID 23710122
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
methyl 2-chloro-4-methoxybenzenecarboximidothioate
CID 116827909
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
(2-amino-4-methoxyphenyl) thiohypochlorite
CID 87575480
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene?
The IUPAC name of 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene (CID 58500368) is 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene.
What is the SMILES notation for 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene?
The canonical SMILES for 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene is COc1ccc(SSC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene?
The InChIKey is LOZYHBXXXKTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS2/c1-10-6-3-4-8(12-11-2)7(9)5-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene?
2-chloro-4-methoxy-1-(methyldisulfanyl)benzene has a molecular weight of 220.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-1-(methyldisulfanyl)benzene is sourced from PubChem (CID 58500368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).