2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one

C8H10N2OS — CID 55280828

IUPAC2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one
SMILESCSc1ccccc(NN)c1=O
InChIInChI=1S/C8H10N2OS/c1-12-7-5-3-2-4-6(10-9)8(7)11/h2-5H,9H2,1H3,(H,10,11)
InChIKeyUTZQCKVRPCYBOI-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.05
Rot. Bonds2

About 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one

2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one (PubChem CID 55280828) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one
PubChem CID55280828
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one
SMILESCSc1ccccc(NN)c1=O
InChIInChI=1S/C8H10N2OS/c1-12-7-5-3-2-4-6(10-9)8(7)11/h2-5H,9H2,1H3,(H,10,11)
InChIKeyUTZQCKVRPCYBOI-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one 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

3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107647318
[2,5-bis(methylsulfanyl)phenyl]hydrazine
CID 130894221
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583
N-methoxy-2-methylsulfanylaniline
CID 142183947
N-tert-butyl-2-methylsulfanylaniline
CID 121217265
(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 107642114
(3-ethyl-2-methylsulfanylphenyl)hydrazine
CID 131076997
N'-(2-methylsulfanylphenyl)ethane-1,2-diamine;oxalic acid
CID 71367834

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one (CID 55280828) is 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one is CSc1ccccc(NN)c1=O.
What is the InChIKey of 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one?
The InChIKey is UTZQCKVRPCYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-7-5-3-2-4-6(10-9)8(7)11/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one?
2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one has a molecular weight of 182.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 55280828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).