2-diazenyl-6-methylbenzenethiol

C7H8N2S — CID 147864647

IUPAC2-diazenyl-6-methylbenzenethiol
SMILES[H]/N=N/c1cccc(C)c1S
InChIInChI=1S/C7H8N2S/c1-5-3-2-4-6(9-8)7(5)10/h2-4,8,10H,1H3/b9-8+
InChIKeyHXKBFJFCBFRWDU-CMDGGOBGSA-N
MW152.22 g/mol
LogP2.95
Rot. Bonds1

About 2-diazenyl-6-methylbenzenethiol

2-diazenyl-6-methylbenzenethiol (PubChem CID 147864647) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-diazenyl-6-methylbenzenethiol.

Molecular Properties

Compound Name2-diazenyl-6-methylbenzenethiol
PubChem CID147864647
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-diazenyl-6-methylbenzenethiol
SMILES[H]/N=N/c1cccc(C)c1S
InChIInChI=1S/C7H8N2S/c1-5-3-2-4-6(9-8)7(5)10/h2-4,8,10H,1H3/b9-8+
InChIKeyHXKBFJFCBFRWDU-CMDGGOBGSA-N
XLogP2.95
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-6-methylbenzenethiol?
The IUPAC name of 2-diazenyl-6-methylbenzenethiol (CID 147864647) is 2-diazenyl-6-methylbenzenethiol.
What is the SMILES notation for 2-diazenyl-6-methylbenzenethiol?
The canonical SMILES for 2-diazenyl-6-methylbenzenethiol is [H]/N=N/c1cccc(C)c1S.
What is the InChIKey of 2-diazenyl-6-methylbenzenethiol?
The InChIKey is HXKBFJFCBFRWDU-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-3-2-4-6(9-8)7(5)10/h2-4,8,10H,1H3/b9-8+.
What are the key properties of 2-diazenyl-6-methylbenzenethiol?
2-diazenyl-6-methylbenzenethiol has a molecular weight of 152.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-6-methylbenzenethiol is sourced from PubChem (CID 147864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).