1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene

C12H12F6S2 — CID 118068053

IUPAC1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene
SMILESCc1c(C)c(SC(F)(F)F)c(C)c(C)c1SC(F)(F)F
InChIInChI=1S/C12H12F6S2/c1-5-6(2)10(20-12(16,17)18)8(4)7(3)9(5)19-11(13,14)15/h1-4H3
InChIKeySUDUGZUASUIXME-UHFFFAOYSA-N
MW334.35 g/mol
LogP6.14
Rot. Bonds2

About 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene

1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene (PubChem CID 118068053) has the molecular formula C12H12F6S2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene
PubChem CID118068053
Molecular FormulaC12H12F6S2
Molecular Weight334.35 g/mol
Exact Mass334.03
IUPAC Name1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene
SMILESCc1c(C)c(SC(F)(F)F)c(C)c(C)c1SC(F)(F)F
InChIInChI=1S/C12H12F6S2/c1-5-6(2)10(20-12(16,17)18)8(4)7(3)9(5)19-11(13,14)15/h1-4H3
InChIKeySUDUGZUASUIXME-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-(trifluoromethylsulfanyl)phenol
CID 130768093
1,3-dimethyl-4-nitro-2-(trifluoromethylsulfanyl)benzene
CID 135743542
[5-hydroxy-3-methyl-2-(trifluoromethylsulfanyl)phenyl]boronic acid
CID 166080701
1,5-dichloro-2,3,4-trifluoro-6-(trifluoromethylsulfanyl)benzene
CID 118807826
1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 118824763
3-fluoro-1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 130896820
2-methyl-3-(trifluoromethylsulfanyl)phenol
CID 151763665
2,3,6-trimethyl-4-(trifluoromethylsulfanyl)phenol
CID 135080191
4-cyano-2-methyl-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 131373017
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
6-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)aniline
CID 59638647
5-bromo-1-methyl-3-nitro-2-(trifluoromethylsulfanyl)benzene
CID 134629398

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene (CID 118068053) is 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene is Cc1c(C)c(SC(F)(F)F)c(C)c(C)c1SC(F)(F)F.
What is the InChIKey of 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene?
The InChIKey is SUDUGZUASUIXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6S2/c1-5-6(2)10(20-12(16,17)18)8(4)7(3)9(5)19-11(13,14)15/h1-4H3.
What are the key properties of 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene?
1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene has a molecular weight of 334.35 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3,6-bis(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 118068053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).