Basic information
- CAS
790725-73-4- Standard SMILES
CCN(CC)C(=O)CSc1n[nH]c(=S)s1- InChIKey
GPFATSDSMKLMLG-UHFFFAOYSA-N- Molecular formula
- C8H13N3OS3
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.02207557
Names & identifiers
- Preferred name
- N,N-diethyl-2-[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetamide
- IUPAC
- N,N-diethyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
- English name
- N,N-DIETHYL-2-[(5-MERCAPTO-1,3,4-THIADIAZOL-2-YL)THIO]ACETAMIDE
- Molecular formula
- C8H13N3OS3
- Molecular weight
- 263.4
Names & synonyms
790725-73-4N,N-diethyl-2-[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]acetamideN,N-diethyl-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamideN,N-Diethyl-2-((5-mercapto-1,3,4-thiadiazol-2-yl)thio)acetamideN,N-diethyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetamideC8H13N3OS3HMS1775O16MFCD06359958AKOS027427140SY141767CS-0222547EN300-11158
Show more names
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-N,N-diethylacetamideAcetamide, 2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-N,N-diethyl-
G76049F644908SR-01000059206SR-01000059206-1Z57036281N,N-diethyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetamideN,N-diethyl-2-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetamideN,N-Diethyl-2-[(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
790725-73-4- PubChem CID
- 2529391
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 381.2 · 381.2±44.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 5.28 · 5.28±0.40(Predicted)
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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