Sbb039262
Basic information
- CAS
30843-69-7- Standard SMILES
O=C(O)CSc1nnc(SCC(=O)O)s1- InChIKey
DRWZLZORCZNETP-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4S3
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 265.9489702
Names & identifiers
- Preferred name
- Sbb039262
- IUPAC
- 2-[[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
- English name
- 1,3,4-Thiadiazole-2,5-dithioacetic acid
- Molecular formula
- C6H6N2O4S3
- Molecular weight
- 266.32
Names & synonyms
30843-69-7SBB039262DTXSID40399889RefChem:379949DTXCID103507452,2'-((1,3,4-Thiadiazole-2,5-diyl)bis(sulfanediyl))diacetic acid2-[5-(carboxymethylthio)-1,3,4-thiadiazol-2-ylthio]acetic acid2,5-Bis(carboxymethylthio)-1,3,4-thiadiazole2-[[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic AcidSCHEMBL8436040STK978241AKOS000267775
Show more names
(1,3,4-thiadiazole-2,5-diyldithio)diacetic acidAcetic acid, 2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-(5-Carboxymethylsulfanyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid
1,3,4-thiadiazole-2,5-dithioacetic acidST50142923(1,3,4-thia-diazole-2,5-diyldithio) diacetic acid2,2'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)diacetic acid2,2'-[1,3,4-Thiadiazole-2,5-diylbis(sulfanediyl)]diacetic acid
Database identifiers
- CAS
30843-69-7- PubChem CID
- 4145504
- DTXSID
DTXSID40399889- Nikkaji
- J2.477.304C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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