Basic information
- CAS
36047-56-0- Standard SMILES
CCCn1c2ccccc2c2n[nH]c(=S)nc21- InChIKey
VKBHDEMYBUCXJW-UHFFFAOYSA-N- Molecular formula
- C12H12N4S
- Average molar mass
- 244.32 g/mol
- Monoisotopic mass
- 244.07826757
Names & identifiers
- Preferred name
- 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione
- IUPAC
- 5-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
- English name
- 5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
- Molecular formula
- C12H12N4S
- Molecular weight
- 244.31548
Names & synonyms
36047-56-02,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione2,5-Dihydro-5-propyl-3H-1,2,4-triazino(5,6-b)indole-3-thioneRefChem:2474645-Propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol5-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione3-Mercapto-5-propyl-5H-1,2,4-triazino[5,6-b]indoleMFCD013062475-propyl-1,2,4-triazino[5,6-b]indole-3-thiolChemDiv1_025601HMS659L15VKBHDEMYBUCXJW-UHFFFAOYSA-N
Show more names
5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide5-propyl-4,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
DTXSID801185627LBA04756SBB001622STK719928AKOS000634770ST4036880CS-0245751EU-0018306
Database identifiers
- CAS
36047-56-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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