2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide

C9H10Cl2N2OS — CID 1483486

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2OS/c10-7-2-1-6(8(11)3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyDJPHAVXHYJUQKF-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.22
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide

2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide (PubChem CID 1483486) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.17 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide
PubChem CID1483486
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.17 g/mol
Exact Mass263.99
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2OS/c10-7-2-1-6(8(11)3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyDJPHAVXHYJUQKF-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.22
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

(4-Chloro-benzylsulfanyl)-acetic acid (2,6-dichloro-benzylidene)-hydrazide
CID 9590479
(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 5924112
N1-methyl-2-{2-[(2,6-dichlorobenzyl)thio]acetyl}hydrazine-1-carbothioamide
CID 2803384
N'-cyclopentylidene-2-[(2,6-dichlorobenzyl)sulfanyl]acetohydrazide
CID 3900665
2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
2-[(4-Chlorobenzyl)thio]acetohydrazide
CID 679484
2-[(2-Chlorobenzyl)sulfanyl]acetamide
CID 958774
2-[(2,6-Dichlorobenzyl)thio]acetohydrazide
CID 2803359
2-[(4-Chlorophenyl)methylsulfonyl]acetohydrazide
CID 11300009
(E)-3-(2,4-dichlorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
CID 7969866
2-[(2-Chloro-4-fluorobenzyl)thio]acetohydrazide
CID 17373043

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide (CID 1483486) is 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide is NNC(=O)CSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide?
The InChIKey is DJPHAVXHYJUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c10-7-2-1-6(8(11)3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide?
2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide has a molecular weight of 265.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 1483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).