(2,3,4,5-tetramethylphenyl)methanethiol

C11H16S — CID 87824247

IUPAC(2,3,4,5-tetramethylphenyl)methanethiol
SMILESCc1cc(CS)c(C)c(C)c1C
InChIInChI=1S/C11H16S/c1-7-5-11(6-12)10(4)9(3)8(7)2/h5,12H,6H2,1-4H3
InChIKeyJYJKFIWESATQFE-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.35
Rot. Bonds1

About (2,3,4,5-tetramethylphenyl)methanethiol

(2,3,4,5-tetramethylphenyl)methanethiol (PubChem CID 87824247) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is (2,3,4,5-tetramethylphenyl)methanethiol.

Molecular Properties

Compound Name(2,3,4,5-tetramethylphenyl)methanethiol
PubChem CID87824247
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name(2,3,4,5-tetramethylphenyl)methanethiol
SMILESCc1cc(CS)c(C)c(C)c1C
InChIInChI=1S/C11H16S/c1-7-5-11(6-12)10(4)9(3)8(7)2/h5,12H,6H2,1-4H3
InChIKeyJYJKFIWESATQFE-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.35
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

1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
1,2-Dimethyl-4-ethylbenzene
CID 13629
1-Phenylethanethiol
CID 141850
Durene
CID 7269
Triethylbenzene
CID 39149
3,4-Dihydrocadalene
CID 528708
2,5-Dimethylstyrene
CID 16265
2-Ethyl-p-xylene
CID 15653
Benzene, 1-ethyl-2,4-dimethyl-
CID 13403

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethylphenyl)methanethiol?
The IUPAC name of (2,3,4,5-tetramethylphenyl)methanethiol (CID 87824247) is (2,3,4,5-tetramethylphenyl)methanethiol.
What is the SMILES notation for (2,3,4,5-tetramethylphenyl)methanethiol?
The canonical SMILES for (2,3,4,5-tetramethylphenyl)methanethiol is Cc1cc(CS)c(C)c(C)c1C.
What is the InChIKey of (2,3,4,5-tetramethylphenyl)methanethiol?
The InChIKey is JYJKFIWESATQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-7-5-11(6-12)10(4)9(3)8(7)2/h5,12H,6H2,1-4H3.
What are the key properties of (2,3,4,5-tetramethylphenyl)methanethiol?
(2,3,4,5-tetramethylphenyl)methanethiol has a molecular weight of 180.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylphenyl)methanethiol is sourced from PubChem (CID 87824247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).