1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride

C9H12Cl2O3S — CID 87072267

IUPAC1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
SMILESCOc1cc(C)cc(C)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H12O.Cl2O2S/c1-7-4-8(2)6-9(5-7)10-3;1-5(2,3)4/h4-6H,1-3H3;
InChIKeyQULOHBIHUYUSSK-UHFFFAOYSA-N
MW271.17 g/mol
LogP3.02
Rot. Bonds1

About 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride

1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride (PubChem CID 87072267) has the molecular formula C9H12Cl2O3S and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
PubChem CID87072267
Molecular FormulaC9H12Cl2O3S
Molecular Weight271.17 g/mol
Exact Mass269.99
IUPAC Name1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
SMILESCOc1cc(C)cc(C)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H12O.Cl2O2S/c1-7-4-8(2)6-9(5-7)10-3;1-5(2,3)4/h4-6H,1-3H3;
InChIKeyQULOHBIHUYUSSK-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
CID 59505386
sodium N-(3-methoxy-5-methylphenyl)sulfamate
CID 174221299
3-methoxy-5-methylbenzenethiol
CID 22504719
(3-methoxy-5-methylphenyl)-methyl-oxoazanium
CID 123749235
1-(4-chlorobut-1-enyl)-3-methoxy-5-methylbenzene
CID 170499055
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
1-methoxy-3-methyl-5-[(Z)-prop-1-enyl]benzene
CID 89073542
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
(3-methoxy-5-methylphenyl)-methyloxidanium
CID 143118319
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
CID 596736

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride?
The IUPAC name of 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride (CID 87072267) is 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride.
What is the SMILES notation for 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride?
The canonical SMILES for 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride is COc1cc(C)cc(C)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride?
The InChIKey is QULOHBIHUYUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.Cl2O2S/c1-7-4-8(2)6-9(5-7)10-3;1-5(2,3)4/h4-6H,1-3H3;.
What are the key properties of 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride?
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride has a molecular weight of 271.17 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride is sourced from PubChem (CID 87072267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).