Basic information
- CAS
36047-55-9- Standard SMILES
CCn1c2ccccc2c2n[nH]c(=S)nc21- InChIKey
ODYFFLRTRSEWAJ-UHFFFAOYSA-N- Molecular formula
- C11H10N4S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.06261751
Names & identifiers
- Preferred name
- 5-ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
- IUPAC
- 5-ethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
- English name
- 5-Ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
- Molecular formula
- C11H10N4S
- Molecular weight
- 230.29
Names & synonyms
5-ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol36047-55-95-ethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione5-ethyl-2,5-dihydro-3h-[1,2,4]triazino[5,6-b]indole-3-thioneMFCD005800089-Ethyl-9H-1,3,4,9-tetraaza-fluorene-2-thiolChemDiv3_005132CBDivE_010511MLS001207634SCHEMBL6688837CHEMBL1409579DTXSID40353764
Show more names
CHEMBRDG-BB 5251353ART-CHEM-BB B0362263H-1,2,4-Triazino[5,6-b]indole-3-thione, 5-ethyl-2,5-dihydro-5-ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol(SALTDATA: FREE)
HMS1487J06HMS2878G18LBA04755STL033027AKOS000530969AKOS030506848CCG-276258FS-6247
Database identifiers
- CAS
36047-55-9- PubChem CID
- 752131
- DTXSID
DTXSID40353764- ChEMBL
CHEMBL1409579
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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