Basic information
- Standard SMILES
CCSc1nc2ccccc2s1- InChIKey
HKIQFQKRAQSUJI-UHFFFAOYSA-N- Molecular formula
- C9H9NS2
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.01764164
Names & identifiers
- Preferred name
- 2-(Ethylthio)benzothiazole
- IUPAC
- 2-ethylsulfanyl-1,3-benzothiazole
- English name
- 2-(Ethylthio)benzothiazole
- Molecular formula
- C9H9NS2
- Molecular weight
- 195.3
Names & synonyms
2-(Ethylthio)benzothiazole2757-92-8Benzothiazole, 2-(ethylthio)-EthylcaptaxEthyl mercaptobenzthiazoleDX7DL9WEA82-EthylmercaptobenzothiazoleEINECS 220-418-9NSC 45348NSC-45348DTXSID60626282-(ETHYLTHIO)BENZOTHIAZOLE [WHO-DD]
Show more names
2-(ethylthio)-benzothiazol2-(ethylthio)-1,3-benzothiazoleBenzothiazole, 2-(ethylthio)- (6CI,7CI,8CI,9CI)
RefChem:460955DTXCID1037696220-418-92-(Ethylsulfanyl)-1,3-benzothiazole2-ethylsulfanyl-1,3-benzothiazole2-(Ethylthio)benzo[d]thiazole2-ethylthiobenzothiazoleNSC45348
Database identifiers
- CAS
2757-92-8- PubChem CID
- 75993
- DTXSID
DTXSID6062628- UNII
- DX7DL9WEA8
- EC Number
- 220-418-9
- Nikkaji
- J299.218C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 26 °C · 26 °C
- Boiling point
- 178 °C18 · 178 °C18 mm Hg(lit.)
- Density
- 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.658(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- room temp
- pka
- 1.04 · 1.04±0.10(Predicted)
- form
- liquid
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
- InChIKey
- HKIQFQKRAQSUJI-UHFFFAOYSA-N
- SMILES
- CCSc1nc2ccccc2s1
- FDA UNII
- 7 DL9WEA8 · DX7DL9WEA8
- EPA Substance Registry System
- 2 · Benzothiazole, 2-(ethylthio)- (2757-92-8)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 2-(ethylthio)-: INACTIVE
Applications
Uses2-(Ethylthio)benzothiazole is a cellular dye/stain. Dyes and metabolites.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
3 records
Linked notes
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