2-Undecyl-1H-imidazole-4-carbodithioic acid
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Basic information
- CAS
84824-79-3- Standard SMILES
CCCCCCCCCCCc1ncc(C(=S)S)[nH]1- InChIKey
JLPZJNSJPMYRJA-UHFFFAOYSA-N- Molecular formula
- C15H26N2S2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.15374118
Names & identifiers
- Preferred name
- 2-Undecyl-1H-imidazole-4-carbodithioic acid
- IUPAC
- 2-undecyl-1H-imidazole-5-carbodithioic acid
- English name
- 2-undecyl-1H-imidazole-4-carbodithioic acid
- Molecular formula
- C15H26N2S2
- Molecular weight
- 298.51034
Names & synonyms
2-Undecyl-1H-imidazole-4-carbodithioic acid84824-79-32-undecyl-1H-imidazole-5-carbodithioic acidEINECS 284-230-9SCHEMBL2792123TZH6D8375FDTXSID90233880JLPZJNSJPMYRJA-UHFFFAOYSA-NNS000386711H-Imidazole-5-carbodithioic acid, 2-undecyl-
Database identifiers
- CAS
84824-79-3- PubChem CID
- 3020153
- DTXSID
DTXSID90233880- UNII
- TZH6D8375F
- EC Number
- 284-230-9
- Nikkaji
- J309.486C
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
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Compound notes
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