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17852-67-4 molecular structure
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(4-methanesulfonylphenyl)hydrazine hydrochloride

ChemBase ID: 10158
Molecular Formular: C7H11ClN2O2S
Molecular Mass: 222.69244
Monoisotopic Mass: 222.02297628
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(cc1)NN)C.Cl
Canonical SMILES:
NNc1ccc(cc1)S(=O)(=O)C.Cl
InChI:
InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
InChIKey:
QVCMFSJTNVQJFG-UHFFFAOYSA-N

Cite this record

CBID:10158 http://www.chembase.cn/molecule-10158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methanesulfonylphenyl)hydrazine hydrochloride
IUPAC Traditional name
(4-methanesulfonylphenyl)hydrazine hydrochloride
Synonyms
4-(Methylsulphonyl)phenylhydrazine hydrochloride
4-Hydrazino-1-(methylsulphonyl)benzene hydrochloride
4-Methylsulfonylphenylhydrazine hydrochloride
(4-(Methylsulfonyl)phenyl)hydrazine hydrochloride
CAS Number
17852-67-4
877-66-7
MDL Number
MFCD00216494
PubChem SID
160973465
PubChem CID
2735181

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735181 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.372124  H Acceptors
H Donor LogD (pH = 5.5) 0.14005873 
LogD (pH = 7.4) 0.20431304  Log P 0.20519696 
Molar Refractivity 49.7683 cm3 Polarizability 18.888123 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
202°C(dec) expand Show data source
202(dec.)°C expand Show data source
Storage Warning
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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