2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol

C9H14S — CID 14064505

IUPAC2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol
SMILESCC1=C(C)C(S)C(C)=C1C
InChIInChI=1S/C9H14S/c1-5-6(2)8(4)9(10)7(5)3/h9-10H,1-4H3
InChIKeyWNYPBTZOLXMAJA-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.97
Rot. Bonds

About 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol

2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol (PubChem CID 14064505) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol.

Molecular Properties

Compound Name2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol
PubChem CID14064505
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol
SMILESCC1=C(C)C(S)C(C)=C1C
InChIInChI=1S/C9H14S/c1-5-6(2)8(4)9(10)7(5)3/h9-10H,1-4H3
InChIKeyWNYPBTZOLXMAJA-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol?
The IUPAC name of 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol (CID 14064505) is 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol.
What is the SMILES notation for 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol?
The canonical SMILES for 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol is CC1=C(C)C(S)C(C)=C1C.
What is the InChIKey of 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol?
The InChIKey is WNYPBTZOLXMAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-5-6(2)8(4)9(10)7(5)3/h9-10H,1-4H3.
What are the key properties of 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol?
2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol has a molecular weight of 154.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol is sourced from PubChem (CID 14064505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).