Basic information
- CAS
7523-57-1- Standard SMILES
Nc1nc(C(Cl)(Cl)Cl)ns1- InChIKey
QYNMMVVOSGGXPZ-UHFFFAOYSA-N- Molecular formula
- C3H2Cl3N3S
- Average molar mass
- 218.5 g/mol
- Monoisotopic mass
- 216.9035011
Names & identifiers
- Preferred name
- 3-(Trichloromethyl)-1,2,4-thiadiazol-5-amine
- IUPAC
- 3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
- English name
- 3-(Trichloromethyl)1,2,4-thiadiazol-5-amine
- Molecular formula
- C3H2Cl3N3S
- Molecular weight
- 218.49
Names & synonyms
3-(Trichloromethyl)-1,2,4-thiadiazol-5-amine7523-57-1DTXSID90345235RefChem:276016DTXCID40296309MFCD011092173-(Trichloromethyl)-1,2,4-thiadiazol-5(2h)-imine3-(TRICHLOROMETHYL)1,2,4-THIADIAZOL-5-AMINEC3H2Cl3N3SSCHEMBL11231650SBB052034AKOS004900676
Show more names
3-trichloromethyl-[1,2,4]thiadiazol-5-ylamine1,2,4-Thiadiazol-5-amine, 3-(trichloromethyl)-
5-amino-3trichloromethyl-1,2,4-thiadiazoleCS-02673983-trichloromethyl-5-amino-1,2,4-thiadiazole5-amino-3-trichloromethyl-1,2,4-thiadiazoleEN300-7901705-Amino-3-[trichloromethyl]-1,2,4-thiadiazole3-(Trichloromethyl)-1,2,4-thiadiazol-5-amine #3-(trichloromethyl)-1,2,4-thiadiazole-5-ylamine
Database identifiers
- CAS
7523-57-1- PubChem CID
- 602848
- DTXSID
DTXSID90345235
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 196 °C · 196 °C
- Boiling point
- 278.5 · 278.5±50.0 °C(Predicted)
- Density
- 1.836 · 1.836±0.06 g/cm3(Predicted)
- pka
- 0.23 · 0.23±0.50(Predicted)
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
Chemistry & industry
Suppliers3 total
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
38 records
Compound notes
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