bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane

C10H15BrS — CID 58078191

IUPACbromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane
SMILESCc1ccc(C)c(S(C)(C)Br)c1
InChIInChI=1S/C10H15BrS/c1-8-5-6-9(2)10(7-8)12(3,4)11/h5-7H,1-4H3
InChIKeyLTWPFMPAEMTDGB-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.04
Rot. Bonds1

About bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane

bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane (PubChem CID 58078191) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namebromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane
PubChem CID58078191
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Namebromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane
SMILESCc1ccc(C)c(S(C)(C)Br)c1
InChIInChI=1S/C10H15BrS/c1-8-5-6-9(2)10(7-8)12(3,4)11/h5-7H,1-4H3
InChIKeyLTWPFMPAEMTDGB-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
cesium 2,5-dimethylbenzenesulfonate
CID 100951961
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557
2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
CID 4163708
1,2,4-trimethylbenzene
CID 7247
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
2,5-dimethyl-N-(oxomethylidene)benzenesulfonamide
CID 15232647
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
1-(2,5-dimethylphenyl)sulfonylpyrrole
CID 22200809
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690

Frequently Asked Questions

What is the IUPAC name of bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane?
The IUPAC name of bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane (CID 58078191) is bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane.
What is the SMILES notation for bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane?
The canonical SMILES for bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane is Cc1ccc(C)c(S(C)(C)Br)c1.
What is the InChIKey of bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane?
The InChIKey is LTWPFMPAEMTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-8-5-6-9(2)10(7-8)12(3,4)11/h5-7H,1-4H3.
What are the key properties of bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane?
bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane has a molecular weight of 247.20 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2,5-dimethylphenyl)-dimethyl-λ4-sulfane is sourced from PubChem (CID 58078191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).