Basic information
- CAS
14068-78-1- Standard SMILES
CN(C)CCc1nnc(N)s1- InChIKey
LQQWVVCJYSVFEF-UHFFFAOYSA-N- Molecular formula
- C6H12N4S
- Average molar mass
- 172.25 g/mol
- Monoisotopic mass
- 172.07826738
Names & identifiers
- Preferred name
- 5-[2-(Dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
- English name
- CHEMBRDG-BB 6038299
- Molecular formula
- C6H12N4S
- Molecular weight
- 172.25
Names & synonyms
14068-78-15-[2-(Dimethylamino)ethyl]-1,3,4-thiadiazol-2-amineMFCD086917595-(2-(Dimethylamino)ethyl)-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazole-2-ethanamine, 5-amino-N,N-dimethyl-SCHEMBL1241938DTXSID50651066LQQWVVCJYSVFEF-UHFFFAOYSA-NAKOS011971667BS-35709DA-18519F314738
Show more names
CHEMBRDG-BB 60382995-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)5-(2-Aminoethyl)-4,4-dimethyl-4,5-dihydro-1,3,4λ4-thiadiazol-2-amine
F2147-4163
Database identifiers
- CAS
14068-78-1- PubChem CID
- 28065408
- DTXSID
DTXSID50651066
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 180 · 180-181 °C
- Boiling point
- 301.9 · 301.9±44.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 8.53 · 8.53±0.28(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
Loading…