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

C12H18S2 — CID 23529674

IUPAC1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene
SMILESCSc1c(C)c(C)c(C)c(C)c1SC
InChIInChI=1S/C12H18S2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3
InChIKeyJVKNMWSRHYLKDL-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.36
Rot. Bonds2

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

1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene (PubChem CID 23529674) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene
PubChem CID23529674
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene
SMILESCSc1c(C)c(C)c(C)c(C)c1SC
InChIInChI=1S/C12H18S2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3
InChIKeyJVKNMWSRHYLKDL-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 13235502
CID 13235502
CID 13446350
CID 13446350
CID 58382820
CID 58382820
CID 4868375
CID 4868375
CID 11256751
CID 11256751
CID 2776823
CID 2776823
CID 7128452
CID 7128452
CID 11141445
CID 11141445
CID 12321837
CID 12321837
CID 15902655
CID 15902655
CID 18709676
CID 18709676
CID 20581812
CID 20581812

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene?
The IUPAC name of 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene (CID 23529674) is 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene is CSc1c(C)c(C)c(C)c(C)c1SC.
What is the InChIKey of 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene?
The InChIKey is JVKNMWSRHYLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3.
What are the key properties of 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene?
1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene has a molecular weight of 226.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5,6-bis(methylsulfanyl)benzene is sourced from PubChem (CID 23529674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).