5-(Pentylthio)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
23574-95-0- Standard SMILES
CCCCCSc1nnc(N)s1- InChIKey
FWZCZBSIHYLSRI-UHFFFAOYSA-N- Molecular formula
- C7H13N3S2
- Average molar mass
- 203.3 g/mol
- Monoisotopic mass
- 203.05508977
Names & identifiers
- Preferred name
- 5-(Pentylthio)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-pentylsulfanyl-1,3,4-thiadiazol-2-amine
Names & synonyms
5-(pentylthio)-1,3,4-thiadiazol-2-amine5-pentylsulfanyl-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-(pentylthio)-1,3,4-Thiadiazole, 2-amino-5-(pentylthio)-5-(Pentylsulfanyl)-1,3,4-thiadiazol-2-amineMLS000861786CHEMBL1349771FWZCZBSIHYLSRI-UHFFFAOYSA-NDTXSID501328000HMS2784M06AKOS000204669CCG-244646
Show more names
23574-95-0SMR0004605705-(Pentylsulfanyl)-1,3,4-thiadiazol-2-amine #
Database identifiers
- CAS
23574-95-0- PubChem CID
- 583603
- DTXSID
DTXSID501328000- ChEMBL
CHEMBL1349771- Nikkaji
- J101.608C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Solubility27.6 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…