Basic information
- CAS
88276-00-0- Standard SMILES
C=CCSc1nnc(C)s1- InChIKey
IXWWVUDSJRLGQE-UHFFFAOYSA-N- Molecular formula
- C6H8N2S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.01289061
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2-methyl-5-(2-propenylthio)-
- IUPAC
- 2-methyl-5-prop-2-enylsulfanyl-1,3,4-thiadiazole
Names & synonyms
1,3,4-Thiadiazole, 2-methyl-5-(2-propenylthio)-88276-00-0DTXSID00397982RefChem:217051DTXCID303488412-methyl-5-prop-2-enylsulfanyl-1,3,4-thiadiazoleSCHEMBL10980579SCHEMBL114581022-allylsulfanyl-5-methyl-1,3,4-thiadiazoleZ251039782-Methyl-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazole
Database identifiers
- CAS
88276-00-0- PubChem CID
- 3922683
- DTXSID
DTXSID00397982
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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