Home > Compound List > Compound details
615-21-4 molecular structure
click picture or here to close

2-hydrazinyl-1,3-benzothiazole

ChemBase ID: 34806
Molecular Formular: C7H7N3S
Molecular Mass: 165.21558
Monoisotopic Mass: 165.03606824
SMILES and InChIs

SMILES:
c1(nc2c(s1)cccc2)NN
Canonical SMILES:
NNc1nc2c(s1)cccc2
InChI:
InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKey:
JYSUYJCLUODSLN-UHFFFAOYSA-N

Cite this record

CBID:34806 http://www.chembase.cn/molecule-34806.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-1,3-benzothiazole
IUPAC Traditional name
2-hydrazinobenzothiazole
Synonyms
2-Hydrazino-1,3-benzothiazole
2(3H)-Benzothiazolone hydrazone
2-Benzothiazolylhydrazine
Benzothiazol-2-yl-hydrazine
2-hydrazinylbenzo[d]thiazole
Benzothiazol-2-yl-hydrazine
2-Hydrazinobenzothiazole
Benzothiazol-2-ylhydrazine
2-Hydrazino-1,3-benzothiazole 97%
2-肼基 苯并噻唑
苯并噻唑-2-基-肼
2-肼基苯并噻唑
CAS Number
615-21-4
EC Number
210-416-6
MDL Number
MFCD00041849
PubChem SID
160998113
24883194
PubChem CID
11988

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.154061  H Acceptors
H Donor LogD (pH = 5.5) 2.1677184 
LogD (pH = 7.4) 2.189085  Log P 2.1893644 
Molar Refractivity 46.3087 cm3 Polarizability 18.174662 Å3
Polar Surface Area 50.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
195 - 197 °C expand Show data source
198-202 °C(lit.) expand Show data source
198-202°C expand Show data source
198-202°C expand Show data source
Partition Coefficient
1.088 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
RTECS
DL4725000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
22-36/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319 expand Show data source
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C7H7N3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 642436 external link
Packaging
5, 25 g in glass bottle

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