Basic information
- Standard SMILES
CCNc1nc2ccccc2s1- InChIKey
SPJIVJKZYGYWQH-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Names & identifiers
- Preferred name
- N-Ethyl-2-benzothiazolamine
- IUPAC
- N-ethyl-1,3-benzothiazol-2-amine
- English name
- 2-Benzothiazolamine,N-ethyl-(9CI)
- Molecular formula
- C9H10N2S
- Molecular weight
- 178.25
Names & synonyms
N-Ethyl-1,3-benzothiazol-2-amine28291-69-2N-ETHYL-2-BENZOTHIAZOLAMINEDTXSID20182539RefChem:829850DTXCID10105030962-642-6N-ethylbenzo[d]thiazol-2-amine2-Benzothiazolamine,N-ethyl-(9CI)MFCD006134572-(Ethylamino)-1,3-benzothiazole2-Benzothiazolamine, N-ethyl-
Show more names
2-(Ethylamino)benzothiazole
Benzothiazole, 2-(ethylamino)-2-ethylamino-benzthiazole2-ethylamino-benzothiazoleOprea1_305279Oprea1_720145SCHEMBL1913774HMS1673K12DBA29169
Database identifiers
- CAS
28291-69-2- PubChem CID
- 34201
- DTXSID
DTXSID20182539- EC Number
- 962-642-6
- Nikkaji
- J102.648H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 142 °C · 142 °C(Press: 0.14 Torr)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
- form
- solid
- InChI
- 1S/C9H10N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
- InChIKey
- SPJIVJKZYGYWQH-UHFFFAOYSA-N
- SMILES
- CCNc1nc2ccccc2s1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P301+P312-P305+P351+P338-P337+P313-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P280-P301+P312-P305+P351+P338-P337+P313-P501
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Linked notes
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