Basic information
- CAS
18239-81-1- Standard SMILES
OC(C[NH2+]CCS)C(O)C[NH2+]CCS.[Cl-].[Cl-]- InChIKey
LUATWDLNSSBTLS-UHFFFAOYSA-N- Molecular formula
- C8H22Cl2N2O2S2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 312.0499757
Names & identifiers
- Preferred name
- 2,3-Butanediol, 1,4-bis((2-mercaptoethyl)amino)-, dihydrochloride
- IUPAC
- [2,3-dihydroxy-4-(2-sulfanylethylazaniumyl)butyl]-(2-sulfanylethyl)azanium dichloride
Names & synonyms
1,4-N-Thioethyl-2,3-dihydroxydiaminobutane dihydrochloride18239-81-11,4-Bis((2-mercaptoethyl)amino)-2,3-butanediol dihydrochloride2,3-BUTANEDIOL, 1,4-BIS((2-MERCAPTOETHYL)AMINO)-, DIHYDROCHLORIDERefChem:244391
Database identifiers
- CAS
18239-81-1- PubChem CID
- 28993
Properties
Computed structural properties
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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