2,3-Butanediol, 1,4-bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-, dihydrochloride
Basic information
- CAS
111915-72-1- Standard SMILES
CC1CN=C(NCC(O)C(O)CNC2=NCC(C)S2)S1.Cl.Cl- InChIKey
SCUDUFVKMCKMEY-UHFFFAOYSA-N- Molecular formula
- C12H24Cl2N4O2S2
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 390.0717738
Names & identifiers
- Preferred name
- 2,3-Butanediol, 1,4-bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-, dihydrochloride
- IUPAC
- 1,4-bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol;dihydrochloride
Names & synonyms
1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride111915-72-12,3-Butanediol, 1,4-bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-, dihydrochlorideN,N'-Bis(5-methyl-delta(sup 2)-thiazolin-2-yl)-1,4-diaminobutane-2,3-diol dihydrochlorideRefChem:244392DTXSID009206131,4-Bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol--hydrogen chloride (1/2)
Database identifiers
- CAS
111915-72-1- PubChem CID
- 3086772
- DTXSID
DTXSID00920613
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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