Basic information
- CAS
6601-05-4- Standard SMILES
CCN(CC)CCN1CNC(=S)NC1- InChIKey
SFWYITXKQNSUBC-UHFFFAOYSA-N- Molecular formula
- C9H20N4S
- Average molar mass
- 216.35 g/mol
- Monoisotopic mass
- 216.14086783
Names & identifiers
- Preferred name
- Mls003115957
- IUPAC
- 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
Names & synonyms
6601-05-4MLS003115957DTXSID70384526RefChem:357328DTXCID903355505-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione5-(2-(Diethylamino)ethyl)-1,3,5-triazinane-2-thioneNSC319032Oprea1_046058CHEMBL1875839SCHEMBL10628309CCG-44550
Show more names
AKOS024335730NSC-319032SMR001831517ST50550811SR-01000634378-1
Database identifiers
- CAS
6601-05-4- PubChem CID
- 2806901
- DTXSID
DTXSID70384526- ChEMBL
CHEMBL1875839- EC Number
- 636-247-1
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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