Basic information
- CAS
33313-11-0- Standard SMILES
CCCCCCCCCCCCCCCCSc1nnc(N)s1- InChIKey
QNFGKXBPIUMFMH-UHFFFAOYSA-N- Molecular formula
- C18H35N3S2
- Average molar mass
- 357.6 g/mol
- Monoisotopic mass
- 357.22724048
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazol-2-amine, 5-(hexadecylthio)-
- IUPAC
- 5-hexadecylsulfanyl-1,3,4-thiadiazol-2-amine
- English name
- 1,3,4-Thiadiazole, 2-amino-5-(hexadecylthio)-
- Molecular formula
- C18H35N3S2
- Molecular weight
- 357.62
Names & synonyms
33313-11-0DTXSID103368271,3,4-Thiadiazol-2-amine, 5-(hexadecylthio)-RefChem:217015DTXCID002879151,3,4-Thiadiazole, 2-amino-5-(hexadecylthio)-5-(Hexadecylsulfanyl)-1,3,4-thiadiazol-2-amineSCHEMBL10559488QNFGKXBPIUMFMH-UHFFFAOYSA-NAKOS0244291502-AMINO-5-HEXADECYLTHIO-1,3,4-THIADIAZOLE5-(Hexadecylsulfanyl)-1,3,4-thiadiazol-2-amine #
Show more names
2-Amino-5-(hexadecylthio)-1,3,4-thiadiazole
Database identifiers
- CAS
33313-11-0- PubChem CID
- 536581
- DTXSID
DTXSID10336827- Nikkaji
- J129.537C
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 487.5 · 487.5±28.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 2.68 · 2.68±0.10(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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