2,3,5,6-tetramethylbenzenethiol

C10H14S — CID 2081007

IUPAC2,3,5,6-tetramethylbenzenethiol
SMILESCc1cc(C)c(C)c(S)c1C
InChIInChI=1S/C10H14S/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
InChIKeyLSBHSNREDVBEMQ-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.21
Rot. Bonds

About 2,3,5,6-tetramethylbenzenethiol

2,3,5,6-tetramethylbenzenethiol (PubChem CID 2081007) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbenzenethiol.

Molecular Properties

Compound Name2,3,5,6-tetramethylbenzenethiol
PubChem CID2081007
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name2,3,5,6-tetramethylbenzenethiol
SMILESCc1cc(C)c(C)c(S)c1C
InChIInChI=1S/C10H14S/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
InChIKeyLSBHSNREDVBEMQ-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5-Tetramethylbenzene
CID 10695
2,6-Dimethylthiophenol
CID 61045
Durene
CID 7269
2,5-Xylenethiol
CID 77615
Benzenethiol, 2-(1-methylethyl)-
CID 96003
4,5-Dimethyl-1,2-benzenedimethanethiol
CID 82471
3,4-Xylenethiol
CID 87799
2,3-Xylenethiol
CID 87798
21411-42-7
CID 301953
3,5-Dimethylbenzenethiol
CID 117548
2-Methyl-5-tert-butylthiophenol
CID 596868
2,4,6-Trimethylthiophenol
CID 284449

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylbenzenethiol?
The IUPAC name of 2,3,5,6-tetramethylbenzenethiol (CID 2081007) is 2,3,5,6-tetramethylbenzenethiol.
What is the SMILES notation for 2,3,5,6-tetramethylbenzenethiol?
The canonical SMILES for 2,3,5,6-tetramethylbenzenethiol is Cc1cc(C)c(C)c(S)c1C.
What is the InChIKey of 2,3,5,6-tetramethylbenzenethiol?
The InChIKey is LSBHSNREDVBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylbenzenethiol?
2,3,5,6-tetramethylbenzenethiol has a molecular weight of 166.29 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbenzenethiol is sourced from PubChem (CID 2081007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).