2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
Basic information
- CAS
21808-48-0- Standard SMILES
O=C(O)CN1CSC(=S)N(CC(=O)O)C1- InChIKey
XPMFGMLJLZFQIM-UHFFFAOYSA-N- Molecular formula
- C7H10N2O4S2
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.00819915
Names & identifiers
- Preferred name
- 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
- IUPAC
- 2-[5-(carboxymethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid
Names & synonyms
NSC404612,2'-(2-thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid21808-48-0DTXSID80285095NSC-404612,2'-(2-Sulfanylidene-1,3,5-thiadiazinane-3,5-diyl)diacetic acid2-[5-(carboxymethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]acetic acid
Database identifiers
- CAS
21808-48-0- PubChem CID
- 237169
- DTXSID
DTXSID80285095
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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