2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide

C8H8Cl2N2OS — CID 88844982

IUPAC2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide
SMILESNNC(=O)C(S)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2OS/c9-4-1-2-5(6(10)3-4)7(14)8(13)12-11/h1-3,7,14H,11H2,(H,12,13)
InChIKeyUVDQNDJNYLFCRB-UHFFFAOYSA-N
MW251.14 g/mol
LogP1.95
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide

2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide (PubChem CID 88844982) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide
PubChem CID88844982
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide
SMILESNNC(=O)C(S)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2OS/c9-4-1-2-5(6(10)3-4)7(14)8(13)12-11/h1-3,7,14H,11H2,(H,12,13)
InChIKeyUVDQNDJNYLFCRB-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 64869015
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
tert-butyl 2-chloro-2-(2,4-dichlorophenyl)acetate
CID 54191230
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanylpentanoate
CID 21216935
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide (CID 88844982) is 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide is NNC(=O)C(S)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide?
The InChIKey is UVDQNDJNYLFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c9-4-1-2-5(6(10)3-4)7(14)8(13)12-11/h1-3,7,14H,11H2,(H,12,13).
What are the key properties of 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide?
2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide has a molecular weight of 251.14 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-sulfanylacetohydrazide is sourced from PubChem (CID 88844982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).