HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Bis(2,6-xylyl) disulfide

HCID 76186
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2905-17-1
Standard SMILES
Cc1cccc(C)c1SSc1c(C)cccc1C
InChIKey
LKOHGPFWLCKZQQ-UHFFFAOYSA-N
Molecular formula
C16H18S2
Average molar mass
274.4 g/mol
Monoisotopic mass
274.08499292

Names & identifiers

Preferred name
Bis(2,6-xylyl) disulfide
IUPAC
2-[(2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
English name
di(2,6-xylyl) disulphide
Molecular formula
C16H18S2
Molecular weight
274.44412

Names & synonyms

Disulfide, bis(2,6-dimethylphenyl)2905-17-1Bis(2,6-xylyl) disulfide3Q90MW426WEINECS 220-806-8NSC 175810NSC-175810DTXSID9062695RefChem:568637DTXCID30379132,6-Xylyl disulfideDi(2,6-xylyl) disulphide
Show more names
Bis(2,6-xylyl) persulfide1,1'-Dithiobis(2,6-dimethylbenzene)
2-[(2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzeneNSC1758101,2-bis(2,6-dimethylphenyl)disulfaneDisulfide,6-dimethylphenyl)SCHEMBL895629UNII-3Q90MW426WLKOHGPFWLCKZQQ-UHFFFAOYSA-Nbis(2,6-dimethylphenyl) disulfide

Database identifiers

CAS
2905-17-1
PubChem CID
76186
DTXSID
DTXSID9062695
UNII
3Q90MW426W
EC Number
220-806-8
Nikkaji
J141.599I

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
207

Physicochemical properties

FDA UNII
3 Q90MW426W · 3Q90MW426W
EPA Substance Registry System
Disulfide, bis(2,6-dimethylphenyl) (2905-17-1)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationDisulfide, bis(2,6-dimethylphenyl): INACTIVE

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes