[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine

C12H19ClN2S — CID 105237970

IUPAC[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
SMILESCC(C)(C)C(CSc1cccc(Cl)c1)NN
InChIInChI=1S/C12H19ClN2S/c1-12(2,3)11(15-14)8-16-10-6-4-5-9(13)7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyRFFROJIZAMXPIR-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.31
Rot. Bonds4

About [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine

[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine (PubChem CID 105237970) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
PubChem CID105237970
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
SMILESCC(C)(C)C(CSc1cccc(Cl)c1)NN
InChIInChI=1S/C12H19ClN2S/c1-12(2,3)11(15-14)8-16-10-6-4-5-9(13)7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyRFFROJIZAMXPIR-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine 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

1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
[2-(3-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105237797
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine (CID 105237970) is [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine is CC(C)(C)C(CSc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine?
The InChIKey is RFFROJIZAMXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-12(2,3)11(15-14)8-16-10-6-4-5-9(13)7-10/h4-7,11,15H,8,14H2,1-3H3.
What are the key properties of [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine?
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine has a molecular weight of 258.82 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine is sourced from PubChem (CID 105237970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).