(Phenylazo)thioformic acid 2-phenylhydrazide

HCID 657262CAS 60-10-6
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Basic information

Standard SMILES
S=C(N=Nc1ccccc1)NNc1ccccc1
InChIKey
UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular formula
C13H12N4S
Average molar mass
256.33 g/mol
Monoisotopic mass
256.07826738

Overview

Dithizone is a member of phenylhydrazines.

Names & identifiers

Preferred name
(Phenylazo)thioformic acid 2-phenylhydrazide
IUPAC
1-anilino-3-phenyliminothiourea
English name
Dithizone
Molecular formula
C13H12N4S
Molecular weight
256.33

Names & synonyms

(Phenylazo)thioformic acid 2-phenylhydrazideDTXSID0058770RefChem:1051024DTXCID6042737DITHIZONE60-10-6DiphenylthiocarbazoneDithizonDitizon1,5-DiphenylthiocarbazoneCarbazone, diphenylthio-USAF EK-3092
Show more names
Dithizone (min. 98%)1,5-diphenyl-3-thiocarbazone(E)-1,5-diphenylthiocarbazoneDiazenecarbothioic acid, 2-phenyl-, 2-phenylhydrazideC13H12N4Susafek-3092
1,5-Diphenyl-3-mercaptoformazanDithizone E-form1-anilino-3-phenyliminothioureaDiazenecarbothioic acid, phenyl-, 2-phenylhydrazideDithizone [MI]3-Formazanthiol, 1,5-diphenyl-N',2-DiphenyldiazenecarbothiohydrazideDiazenecarbohydrazonothioic acid, N,2-diphenyl-

Database identifiers

CAS
60-10-6、760132-01-2
PubChem CID
657262
DTXSID
DTXSID0058770
ChEMBL
CHEMBL1492000
ChEBI
CHEBI:177759
UNII
NJZ2CJ4D6P
Nikkaji
J4.799F

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
80.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Experimental & physicochemical properties

DrugsPharmaceutical
Solubility31.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
168 °C · 168 °C (dec.) (lit.)
Boiling point
376.1 · 376.1±25.0 °C(Predicted)
bulk density
250 kg/m3 · 250kg/m3
Density
1.2578 · 1.2578 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
storage temp.
no restrictions.

Safety & regulation

Safety data

wgk
3
tsca
TSCA listed
rtecs
LQ9450000
ridadr
2811
hs_code
29309090
risk_code
22-36/37/38

Chemistry & industry

Applications · 4 items

UsesDithizone is an organosulfur compound that acts as a chelating agent and forms complexes with metals such as lead and mercury. Dithizone is used to assess the purity of human pancreatic islet preparations used for transplantation into patients with type 1 diabetes.

UsesDithizone is used as an indicator for minute amounts of lead. It acts as a chelating agent for heavy metal poisoning. As a ligand, it forms complexes with metals like zinc, lead and mercury. Further, it is used to assess the purity of human pancreatic islet preparations, which is used for transplantation in patients with type 1 diabetes. In addition to this, it is used as a titrant in the quantitative determination of heavy metals.

UsesSensitive reagent for several heavy metals, Co, Cu, Pb, and Hg; especially for the estimation of minute amounts of Pb.

General DescriptionDithizone (Diphenylthiocarbazone) is used as chelating agent for zinc. It is widely used for the liquid-liquid and solid phase extraction of various metals since it forms stable complexes with the metals.

Upstream & downstream products

Downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: Dithizone is a member of phenylhydrazines.

Related reactions

1 records
New reaction record

Linked notes

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