2-(2,5-dichlorophenyl)sulfanylbutanehydrazide

C10H12Cl2N2OS — CID 63582266

IUPAC2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cc(Cl)ccc1Cl)C(=O)NN
InChIInChI=1S/C10H12Cl2N2OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyDCPQDBIQYCFEEV-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.85
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide

2-(2,5-dichlorophenyl)sulfanylbutanehydrazide (PubChem CID 63582266) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
PubChem CID63582266
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
SMILESCCC(Sc1cc(Cl)ccc1Cl)C(=O)NN
InChIInChI=1S/C10H12Cl2N2OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyDCPQDBIQYCFEEV-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841
3-amino-2-(2,5-dichlorophenyl)sulfanylpropanoic acid
CID 64695273
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
ethyl N-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]carbamate
CID 47266788
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
CID 63581272

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide (CID 63582266) is 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide is CCC(Sc1cc(Cl)ccc1Cl)C(=O)NN.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide?
The InChIKey is DCPQDBIQYCFEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-2-8(10(15)14-13)16-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide?
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide has a molecular weight of 279.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63582266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).