5-((1-Methylpropyl)thio)-1,3,4-thiadiazol-2-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
33313-08-5- Standard SMILES
CCC(C)Sc1nnc(N)s1- InChIKey
HUXOOJNOENHCDZ-UHFFFAOYSA-N- Molecular formula
- C6H11N3S2
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.03943971
Names & identifiers
- Preferred name
- 5-((1-Methylpropyl)thio)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
- English name
- 5-[(sec-Butyl)thio]-1,3,4-thiadiazol-2-amine
- Molecular formula
- C6H11N3S2
- Molecular weight
- 189.3
Names & synonyms
33313-08-55-[(1-Methylpropyl)thio]-1,3,4-thiadiazol-2-amine5-((1-Methylpropyl)thio)-1,3,4-thiadiazol-2-amineRefChem:2990345-(sec-butylthio)-1,3,4-thiadiazol-2-amine5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine5-[(sec-Butyl)thio]-1,3,4-thiadiazol-2-amineMFCD073647595-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-[(1-methylpropyl)thio]-5-(sec-butylsulfanyl)-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazole, 2-amino-5-(sec-butylthio)-
Show more names
5-sec-butylsulfanyl-1,3,4-thiadiazol-2-amine[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]amine5-sec-Butylsulfanyl-[1,3,4]thiadiazol-2-ylamine
HUXOOJNOENHCDZ-UHFFFAOYSA-NDTXSID701231976HMS1699J20ALBB-014622STL261803AKOS000768404AKOS017258640LS-04642
Database identifiers
- CAS
33313-08-5- PubChem CID
- 583583
- DTXSID
DTXSID701231976- Nikkaji
- J103.834F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…