Home > Compound List > Compound details
75150-40-2 molecular structure
click picture or here to close

2-[(4-chlorophenyl)sulfanyl]acetohydrazide

ChemBase ID: 44200
Molecular Formular: C8H9ClN2OS
Molecular Mass: 216.68786
Monoisotopic Mass: 216.0124116
SMILES and InChIs

SMILES:
C(=O)(NN)CSc1ccc(Cl)cc1
Canonical SMILES:
NNC(=O)CSc1ccc(cc1)Cl
InChI:
InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKey:
SXJWSRUPDZKESM-UHFFFAOYSA-N

Cite this record

CBID:44200 http://www.chembase.cn/molecule-44200.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-chlorophenyl)sulfanyl]acetohydrazide
IUPAC Traditional name
2-[(4-chlorophenyl)sulfanyl]acetohydrazide
Synonyms
2-[(4-Chlorophenyl)sulfanyl]acetohydrazide
2-[(4-Chlorophenyl)thio]acetohydrazide
CAS Number
75150-40-2
MDL Number
MFCD01176459
PubChem SID
162048963
PubChem CID
734893

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.6227045  H Acceptors
H Donor LogD (pH = 5.5) 1.2663051 
LogD (pH = 7.4) 1.2686839  Log P 1.2687387 
Molar Refractivity 56.1602 cm3 Polarizability 21.576906 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
103 - 104 °C expand Show data source
103-104°C expand Show data source
Hydrophobicity(logP)
1.413 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle